CID 386675

Nsc679202

Structural Information

Molecular Formula
C23H18N4O2
SMILES
COC1=CC=C(C=C1)C2=NN=C3N(C4=CC=CC=C4N3C2=O)CC5=CC=CC=C5
InChI
InChI=1S/C23H18N4O2/c1-29-18-13-11-17(12-14-18)21-22(28)27-20-10-6-5-9-19(20)26(23(27)25-24-21)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3
InChIKey
FFTAEJYFPTXWNS-UHFFFAOYSA-N
Compound name
10-benzyl-3-(4-methoxyphenyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.14297 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.15025 194.2
[M+Na]+ 405.13219 205.8
[M-H]- 381.13569 201.5
[M+NH4]+ 400.17679 203.7
[M+K]+ 421.10613 197.4
[M+H-H2O]+ 365.14023 181.4
[M+HCOO]- 427.14117 212.7
[M+CH3COO]- 441.15682 204.1
[M+Na-2H]- 403.11764 199.2
[M]+ 382.14242 198.6
[M]- 382.14352 198.6
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.