CID 370691

Nsc644078

Structural Information

Molecular Formula
C26H34N4O3
SMILES
CC(=O)NC(CCCCN(CC1=CC=CC=C1)C(=O)NCC=C)C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C26H34N4O3/c1-3-17-27-26(33)30(20-23-14-8-5-9-15-23)18-11-10-16-24(29-21(2)31)25(32)28-19-22-12-6-4-7-13-22/h3-9,12-15,24H,1,10-11,16-20H2,2H3,(H,27,33)(H,28,32)(H,29,31)
InChIKey
MNSIYGIZHFFCKM-UHFFFAOYSA-N
Compound name
2-acetamido-N-benzyl-6-[benzyl(prop-2-enylcarbamoyl)amino]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

450.2631 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.27038 214.9
[M+Na]+ 473.25232 212.6
[M-H]- 449.25582 220.4
[M+NH4]+ 468.29692 221.7
[M+K]+ 489.22626 209.7
[M+H-H2O]+ 433.26036 203.6
[M+HCOO]- 495.26130 237.0
[M+CH3COO]- 509.27695 245.1
[M+Na-2H]- 471.23777 213.1
[M]+ 450.26255 215.0
[M]- 450.26365 215.0
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.