CID 370692

Nsc644079

Structural Information

Molecular Formula
C19H27N5O4
SMILES
CC(=O)NC(CCCCNC(=O)N(CC=C)N=O)C(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C19H27N5O4/c1-3-13-24(23-28)19(27)20-12-8-7-11-17(22-15(2)25)18(26)21-14-16-9-5-4-6-10-16/h3-6,9-10,17H,1,7-8,11-14H2,2H3,(H,20,27)(H,21,26)(H,22,25)
InChIKey
NYJRGGMIIZJDLE-UHFFFAOYSA-N
Compound name
2-acetamido-N-benzyl-6-[[nitroso(prop-2-enyl)carbamoyl]amino]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.2063 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.21358 195.3
[M+Na]+ 412.19552 194.7
[M-H]- 388.19902 199.9
[M+NH4]+ 407.24012 205.4
[M+K]+ 428.16946 194.9
[M+H-H2O]+ 372.20356 184.9
[M+HCOO]- 434.20450 221.3
[M+CH3COO]- 448.22015 237.7
[M+Na-2H]- 410.18097 195.2
[M]+ 389.20575 197.3
[M]- 389.20685 197.3
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.