CID 387362

Nsc681114

Structural Information

Molecular Formula
C15H12N4
SMILES
CC1=CC2=NC3=CC=CC=C3N2C4=C1C=CC(=N4)N
InChI
InChI=1S/C15H12N4/c1-9-8-14-17-11-4-2-3-5-12(11)19(14)15-10(9)6-7-13(16)18-15/h2-8H,1H3,(H2,16,18)
InChIKey
YZMMEEUYSYZYLT-UHFFFAOYSA-N
Compound name
5-methylbenzimidazolo[1,2-a][1,8]naphthyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.1062 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.11348 155.2
[M+Na]+ 271.09542 169.1
[M-H]- 247.09892 159.0
[M+NH4]+ 266.14002 173.6
[M+K]+ 287.06936 162.0
[M+H-H2O]+ 231.10346 146.6
[M+HCOO]- 293.10440 177.1
[M+CH3COO]- 307.12005 168.4
[M+Na-2H]- 269.08087 164.9
[M]+ 248.10565 158.7
[M]- 248.10675 158.7
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.