CID 370686

Nsc644073

Structural Information

Molecular Formula
C18H25N5O4
SMILES
CC(=O)NC(CCCNC(=O)N(CC=C)N=O)C(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C18H25N5O4/c1-3-12-23(22-27)18(26)19-11-7-10-16(21-14(2)24)17(25)20-13-15-8-5-4-6-9-15/h3-6,8-9,16H,1,7,10-13H2,2H3,(H,19,26)(H,20,25)(H,21,24)
InChIKey
JARIZQCIPSZURJ-UHFFFAOYSA-N
Compound name
2-acetamido-N-benzyl-5-[[nitroso(prop-2-enyl)carbamoyl]amino]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

375.19064 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.19792 191.0
[M+Na]+ 398.17986 190.8
[M-H]- 374.18336 195.7
[M+NH4]+ 393.22446 201.6
[M+K]+ 414.15380 191.1
[M+H-H2O]+ 358.18790 180.7
[M+HCOO]- 420.18884 217.3
[M+CH3COO]- 434.20449 234.8
[M+Na-2H]- 396.16531 191.3
[M]+ 375.19009 192.6
[M]- 375.19119 192.6
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.