CID 387363

Nsc681115

Structural Information

Molecular Formula
C15H11N3
SMILES
CC1=C2C=CC3=NC4=CC=CC=C4N3C2=NC=C1
InChI
InChI=1S/C15H11N3/c1-10-8-9-16-15-11(10)6-7-14-17-12-4-2-3-5-13(12)18(14)15/h2-9H,1H3
InChIKey
ANBUTTKVVAWVHL-UHFFFAOYSA-N
Compound name
4-methylbenzimidazolo[1,2-a][1,8]naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.09529 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.10257 151.1
[M+Na]+ 256.08451 164.9
[M-H]- 232.08801 154.9
[M+NH4]+ 251.12911 170.3
[M+K]+ 272.05845 158.2
[M+H-H2O]+ 216.09255 142.2
[M+HCOO]- 278.09349 172.6
[M+CH3COO]- 292.10914 164.7
[M+Na-2H]- 254.06996 161.7
[M]+ 233.09474 155.5
[M]- 233.09584 155.5
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.