CID 370690

Nsc644077

Structural Information

Molecular Formula
C22H34N4O3
SMILES
CCCN(CCCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)NCC=C
InChI
InChI=1S/C22H34N4O3/c1-4-14-23-22(29)26(15-5-2)16-10-9-13-20(25-18(3)27)21(28)24-17-19-11-7-6-8-12-19/h4,6-8,11-12,20H,1,5,9-10,13-17H2,2-3H3,(H,23,29)(H,24,28)(H,25,27)
InChIKey
NEARHTGMTMCMPP-UHFFFAOYSA-N
Compound name
2-acetamido-N-benzyl-6-[prop-2-enylcarbamoyl(propyl)amino]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.2631 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.27038 204.8
[M+Na]+ 425.25232 203.3
[M-H]- 401.25582 207.5
[M+NH4]+ 420.29692 214.3
[M+K]+ 441.22626 201.6
[M+H-H2O]+ 385.26036 194.8
[M+HCOO]- 447.26130 227.0
[M+CH3COO]- 461.27695 237.5
[M+Na-2H]- 423.23777 202.0
[M]+ 402.26255 206.1
[M]- 402.26365 206.1
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.