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]+ 285.09822 161.7
[M+Na]+ 307.08016 170.0
[M-H]- 283.08366 164.4
[M+NH4]+ 302.12476 176.1
[M+K]+ 323.05410 165.6
[M+H-H2O]+ 267.08820 153.5
[M+HCOO]- 329.08914 182.0
[M+CH3COO]- 343.10479 172.7
[M+Na-2H]- 305.06561 164.6
[M]+ 284.09039 162.2
[M]- 284.09149 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