CID 34280

Cypendazole

Structural Information

Molecular Formula
C16H19N5O3
SMILES
COC(=O)NC1=NC2=CC=CC=C2N1C(=O)NCCCCCC#N
InChI
InChI=1S/C16H19N5O3/c1-24-16(23)20-14-19-12-8-4-5-9-13(12)21(14)15(22)18-11-7-3-2-6-10-17/h4-5,8-9H,2-3,6-7,11H2,1H3,(H,18,22)(H,19,20,23)
InChIKey
MKZGVGOBXZJKGV-UHFFFAOYSA-N
Compound name
methyl N-[1-(5-cyanopentylcarbamoyl)benzimidazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4346
Patents

329.1488 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.15608 177.8
[M+Na]+ 352.13802 185.6
[M-H]- 328.14152 178.2
[M+NH4]+ 347.18262 189.4
[M+K]+ 368.11196 181.7
[M+H-H2O]+ 312.14606 161.8
[M+HCOO]- 374.14700 196.3
[M+CH3COO]- 388.16265 221.0
[M+Na-2H]- 350.12347 180.4
[M]+ 329.14825 176.4
[M]- 329.14935 176.4
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.