CID 22833397

1x9glc8pct

Structural Information

Molecular Formula
C52H95N5O4
SMILES
CCCCCCCCCCCCCCCC/C=C/C1C(=O)N(C(=O)C1)CCNCCNCCNCCN2C(=O)C(CC2=O)/C=C/CCCCCCCCCCCCCCCC
InChI
InChI=1S/C52H95N5O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-47-45-49(58)56(51(47)60)43-41-54-39-37-53-38-40-55-42-44-57-50(59)46-48(52(57)61)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-36,47-48,53-55H,3-32,37-46H2,1-2H3/b35-33+,36-34+
InChIKey
AZUQMKNTKCEUKF-LBYUQGKWSA-N
Compound name
3-[(E)-octadec-1-enyl]-1-[2-[2-[2-[2-[3-[(E)-octadec-1-enyl]-2,5-dioxopyrrolidin-1-yl]ethylamino]ethylamino]ethylamino]ethyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

853.7384 Da
Monoisotopic Mass

15.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 854.74568 324.9
[M+Na]+ 876.72762 339.1
[M-H]- 852.73112 315.2
[M+NH4]+ 871.77222 325.3
[M+K]+ 892.70156 335.3
[M+H-H2O]+ 836.73566 322.7
[M+HCOO]- 898.73660 336.2
[M+CH3COO]- 912.75225 320.9
[M+Na-2H]- 874.71307 301.7
[M]+ 853.73785 318.4
[M]- 853.73895 318.4
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.