CID 386679

Nsc679206

Structural Information

Molecular Formula
C17H14N4O2
SMILES
CN1C2=CC=CC=C2N3C1=NN=C(C3=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C17H14N4O2/c1-20-13-5-3-4-6-14(13)21-16(22)15(18-19-17(20)21)11-7-9-12(23-2)10-8-11/h3-10H,1-2H3
InChIKey
SEPNRDBTTGHYTF-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

306.11166 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.11894 172.4
[M+Na]+ 329.10088 185.8
[M-H]- 305.10438 177.2
[M+NH4]+ 324.14548 186.0
[M+K]+ 345.07482 179.3
[M+H-H2O]+ 289.10892 161.8
[M+HCOO]- 351.10986 192.2
[M+CH3COO]- 365.12551 184.3
[M+Na-2H]- 327.08633 178.6
[M]+ 306.11111 178.0
[M]- 306.11221 178.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.