CID 165776611

N-[5-(1h-1,3-benzodiazol-2-yl)-1h-pyrazol-3-yl]-4-(n-methylprop-2-enamido)benzamide

Structural Information

Molecular Formula
C21H18N6O2
SMILES
CN(C1=CC=C(C=C1)C(=O)NC2=NNC(=C2)C3=NC4=CC=CC=C4N3)C(=O)C=C
InChI
InChI=1S/C21H18N6O2/c1-3-19(28)27(2)14-10-8-13(9-11-14)21(29)24-18-12-17(25-26-18)20-22-15-6-4-5-7-16(15)23-20/h3-12H,1H2,2H3,(H,22,23)(H2,24,25,26,29)
InChIKey
SOUMHBSFJWBVOU-UHFFFAOYSA-N
Compound name
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-[methyl(prop-2-enoyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1491 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.15638 189.0
[M+Na]+ 409.13832 195.7
[M-H]- 385.14182 195.1
[M+NH4]+ 404.18292 197.8
[M+K]+ 425.11226 189.4
[M+H-H2O]+ 369.14636 178.5
[M+HCOO]- 431.14730 208.4
[M+CH3COO]- 445.16295 197.7
[M+Na-2H]- 407.12377 190.2
[M]+ 386.14855 188.9
[M]- 386.14965 188.9
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.