CID 371364

Nsc645584

Structural Information

Molecular Formula
C19H26N4O3
SMILES
CC(=O)NC(CCCCNC(=O)NCC#C)C(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C19H26N4O3/c1-3-12-20-19(26)21-13-8-7-11-17(23-15(2)24)18(25)22-14-16-9-5-4-6-10-16/h1,4-6,9-10,17H,7-8,11-14H2,2H3,(H,22,25)(H,23,24)(H2,20,21,26)
InChIKey
TWFOIWBAYSOYGK-UHFFFAOYSA-N
Compound name
2-acetamido-N-benzyl-6-(prop-2-ynylcarbamoylamino)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.2005 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.20778 194.0
[M+Na]+ 381.18972 196.0
[M-H]- 357.19322 193.9
[M+NH4]+ 376.23432 202.9
[M+K]+ 397.16366 192.9
[M+H-H2O]+ 341.19776 178.8
[M+HCOO]- 403.19870 210.2
[M+CH3COO]- 417.21435 228.2
[M+Na-2H]- 379.17517 191.8
[M]+ 358.19995 187.1
[M]- 358.20105 187.1
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.