CID 393408

Nsc695251

Structural Information

Molecular Formula
C17H11N3
SMILES
CC1=C(C2=CC=CC=C2C3=NC4=CC=CC=C4N13)C#N
InChI
InChI=1S/C17H11N3/c1-11-14(10-18)12-6-2-3-7-13(12)17-19-15-8-4-5-9-16(15)20(11)17/h2-9H,1H3
InChIKey
KWWBYCSMNGLBLX-UHFFFAOYSA-N
Compound name
6-methylbenzimidazolo[2,1-a]isoquinoline-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0953 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10258 163.9
[M+Na]+ 280.08452 179.6
[M-H]- 256.08802 166.8
[M+NH4]+ 275.12912 181.2
[M+K]+ 296.05846 168.7
[M+H-H2O]+ 240.09256 149.0
[M+HCOO]- 302.09350 181.9
[M+CH3COO]- 316.10915 175.2
[M+Na-2H]- 278.06997 171.1
[M]+ 257.09475 162.7
[M]- 257.09585 162.7
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.