CID 370689

Nsc644076

Structural Information

Molecular Formula
C19H28N4O3
SMILES
CC(=O)NC(CCCCNC(=O)NCC=C)C(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C19H28N4O3/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/h3-6,9-10,17H,1,7-8,11-14H2,2H3,(H,22,25)(H,23,24)(H2,20,21,26)
InChIKey
SPHMGBXEEHIWKH-UHFFFAOYSA-N
Compound name
2-acetamido-N-benzyl-6-(prop-2-enylcarbamoylamino)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.21616 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.22344 190.4
[M+Na]+ 383.20538 190.0
[M-H]- 359.20888 192.2
[M+NH4]+ 378.24998 201.0
[M+K]+ 399.17932 187.6
[M+H-H2O]+ 343.21342 181.0
[M+HCOO]- 405.21436 213.1
[M+CH3COO]- 419.23001 225.6
[M+Na-2H]- 381.19083 189.8
[M]+ 360.21561 189.3
[M]- 360.21671 189.3
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.