CID 391137

Nsc689863

Structural Information

Molecular Formula
C25H37N5O5S
SMILES
CC(=O)NCCCCN(CCCNC(=O)C)C(=O)CNS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C
InChI
InChI=1S/C25H37N5O5S/c1-19(31)26-14-5-6-16-30(17-9-15-27-20(2)32)25(33)18-28-36(34,35)24-13-8-10-21-22(24)11-7-12-23(21)29(3)4/h7-8,10-13,28H,5-6,9,14-18H2,1-4H3,(H,26,31)(H,27,32)
InChIKey
RRGOVGGLPPWOIR-UHFFFAOYSA-N
Compound name
N-(4-acetamidobutyl)-N-(3-acetamidopropyl)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.2515 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.25878 223.6
[M+Na]+ 542.24072 222.3
[M-H]- 518.24422 228.0
[M+NH4]+ 537.28532 229.8
[M+K]+ 558.21466 221.4
[M+H-H2O]+ 502.24876 213.4
[M+HCOO]- 564.24970 240.0
[M+CH3COO]- 578.26535 262.0
[M+Na-2H]- 540.22617 224.1
[M]+ 519.25095 230.2
[M]- 519.25205 230.2
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.