CID 370684

Nsc644071

Structural Information

Molecular Formula
C21H32N4O3
SMILES
CCCN(CCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)NCC=C
InChI
InChI=1S/C21H32N4O3/c1-4-13-22-21(28)25(14-5-2)15-9-12-19(24-17(3)26)20(27)23-16-18-10-7-6-8-11-18/h4,6-8,10-11,19H,1,5,9,12-16H2,2-3H3,(H,22,28)(H,23,27)(H,24,26)
InChIKey
AYHZQBPVKXLWAZ-UHFFFAOYSA-N
Compound name
2-acetamido-N-benzyl-5-[prop-2-enylcarbamoyl(propyl)amino]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.24744 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.25472 200.4
[M+Na]+ 411.23666 199.4
[M-H]- 387.24016 203.3
[M+NH4]+ 406.28126 210.5
[M+K]+ 427.21060 197.9
[M+H-H2O]+ 371.24470 190.6
[M+HCOO]- 433.24564 222.9
[M+CH3COO]- 447.26129 234.6
[M+Na-2H]- 409.22211 198.1
[M]+ 388.24689 201.4
[M]- 388.24799 201.4
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.