CID 342980

Nsc381483

Structural Information

Molecular Formula
C16H12N4O
SMILES
CC1=NN(C(=O)N2C1=NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C16H12N4O/c1-11-15-17-13-9-5-6-10-14(13)19(15)16(21)20(18-11)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey
IFMAOKKNTXJBJQ-UHFFFAOYSA-N
Compound name
4-methyl-2-phenyl-[1,2,4]triazino[4,5-a]benzimidazol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1011 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10838 164.0
[M+Na]+ 299.09032 177.3
[M-H]- 275.09382 168.6
[M+NH4]+ 294.13492 178.7
[M+K]+ 315.06426 170.2
[M+H-H2O]+ 259.09836 153.6
[M+HCOO]- 321.09930 184.1
[M+CH3COO]- 335.11495 176.3
[M+Na-2H]- 297.07577 171.5
[M]+ 276.10055 167.5
[M]- 276.10165 167.5
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.