CID 174046

1-[2-[[2-[[2-[[2-[2,5-dioxo-3-(tetracontenyl)-1-pyrrolidinyl]ethyl]amino]ethyl]amino]ethyl]amino]ethyl]-3-(dotetracontenyl)pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C98H187N5O4
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=CC1CC(=O)N(C1=O)CCNCCNCCNCCN2C(=O)CC(C2=O)C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C98H187N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-44-46-48-50-52-54-56-58-60-62-64-66-68-70-72-74-76-78-80-82-94-92-96(105)103(98(94)107)90-88-101-86-84-99-83-85-100-87-89-102-95(104)91-93(97(102)106)81-79-77-75-73-71-69-67-65-63-61-59-57-55-53-51-49-47-45-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h79-82,93-94,99-101H,3-78,83-92H2,1-2H3
InChIKey
NWWJZFVFMYPBAA-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-[2-(3-dotetracont-1-enyl-2,5-dioxopyrrolidin-1-yl)ethylamino]ethylamino]ethylamino]ethyl]-3-tetracont-1-enylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

1498.4583 Da
Monoisotopic Mass

39.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1499.4656 428.8
[M+Na]+ 1521.4475 431.0
[M+NH4]+ 1516.4921 424.7
[M+K]+ 1537.4215 439.8
[M-H]- 1497.4510 403.2
[M+Na-2H]- 1519.4330 413.1
[M]+ 1498.4578 423.7
[M]- 1498.4588 423.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.