CID 353155

Picodazole

Structural Information

Molecular Formula
C14H12N4O3
SMILES
COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CN3
InChI
InChI=1S/C14H12N4O3/c1-21-14(20)18-13-16-9-5-4-8(7-11(9)17-13)12(19)10-3-2-6-15-10/h2-7,15H,1H3,(H2,16,17,18,20)
InChIKey
PLBDUAFRLMLHTN-UHFFFAOYSA-N
Compound name
methyl N-[6-(1H-pyrrole-2-carbonyl)-1H-benzimidazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

284.09094 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.098216 161.7
[M+Na]+ 307.080158 170.0
[M-H]- 283.083664 164.4
[M+NH4]+ 302.124763 176.1
[M+K]+ 323.054098 165.6
[M+H-H2O]+ 267.088200 153.5
[M+HCOO]- 329.089141 182.0
[M+CH3COO]- 343.104791 172.7
[M+Na-2H]- 305.065606 164.6
[M]+ 284.09039142 162.2
[M]- 284.09148858 162.2
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

patents stripe