CID 370683

Nsc644070

Structural Information

Molecular Formula
C18H26N4O3
SMILES
CC(=O)NC(CCCNC(=O)NCC=C)C(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C18H26N4O3/c1-3-11-19-18(25)20-12-7-10-16(22-14(2)23)17(24)21-13-15-8-5-4-6-9-15/h3-6,8-9,16H,1,7,10-13H2,2H3,(H,21,24)(H,22,23)(H2,19,20,25)
InChIKey
SOSGEVLLRYJZKW-UHFFFAOYSA-N
Compound name
2-acetamido-N-benzyl-5-(prop-2-enylcarbamoylamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.2005 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.20778 186.1
[M+Na]+ 369.18972 186.1
[M-H]- 345.19322 188.1
[M+NH4]+ 364.23432 197.2
[M+K]+ 385.16366 183.9
[M+H-H2O]+ 329.19776 176.8
[M+HCOO]- 391.19870 209.1
[M+CH3COO]- 405.21435 222.6
[M+Na-2H]- 367.17517 186.0
[M]+ 346.19995 184.6
[M]- 346.20105 184.6
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.