CID 17395792

Akos008054263

Structural Information

Molecular Formula
C16H20N4O3
SMILES
CCCN1C2=CC=CC=C2N(C1=O)CC(=O)NC(=O)NCC=C
InChI
InChI=1S/C16H20N4O3/c1-3-9-17-15(22)18-14(21)11-20-13-8-6-5-7-12(13)19(10-4-2)16(20)23/h3,5-8H,1,4,9-11H2,2H3,(H2,17,18,21,22)
InChIKey
DCWPZKBEVYOCDT-UHFFFAOYSA-N
Compound name
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

316.15353 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16081 173.9
[M+Na]+ 339.14275 181.9
[M-H]- 315.14625 176.4
[M+NH4]+ 334.18735 188.3
[M+K]+ 355.11669 177.6
[M+H-H2O]+ 299.15079 165.5
[M+HCOO]- 361.15173 197.0
[M+CH3COO]- 375.16738 211.2
[M+Na-2H]- 337.12820 176.7
[M]+ 316.15298 177.9
[M]- 316.15408 177.9
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.