CID 370685

Nsc644072

Structural Information

Molecular Formula
C25H32N4O3
SMILES
CC(=O)NC(CCCN(CC1=CC=CC=C1)C(=O)NCC=C)C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C25H32N4O3/c1-3-16-26-25(32)29(19-22-13-8-5-9-14-22)17-10-15-23(28-20(2)30)24(31)27-18-21-11-6-4-7-12-21/h3-9,11-14,23H,1,10,15-19H2,2H3,(H,26,32)(H,27,31)(H,28,30)
InChIKey
JXNKMYSKOOGGAH-UHFFFAOYSA-N
Compound name
2-acetamido-N-benzyl-5-[benzyl(prop-2-enylcarbamoyl)amino]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

436.24744 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.25472 210.6
[M+Na]+ 459.23666 208.8
[M-H]- 435.24016 216.3
[M+NH4]+ 454.28126 218.0
[M+K]+ 475.21060 206.1
[M+H-H2O]+ 419.24470 199.5
[M+HCOO]- 481.24564 233.1
[M+CH3COO]- 495.26129 242.2
[M+Na-2H]- 457.22211 209.2
[M]+ 436.24689 210.4
[M]- 436.24799 210.4
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.