CID 200025

5-methylnaftoylbenzimidazol

Structural Information

Molecular Formula
C19H12N2O
SMILES
CC1=CC2=C(C=C1)N=C3N2C(=O)C4=CC=CC5=C4C3=CC=C5
InChI
InChI=1S/C19H12N2O/c1-11-8-9-15-16(10-11)21-18(20-15)13-6-2-4-12-5-3-7-14(17(12)13)19(21)22/h2-10H,1H3
InChIKey
ZLFVODKBPKTDSK-UHFFFAOYSA-N
Compound name
7-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4(9),5,7,12,14,16(20),17-nonaen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.09497 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10225 163.6
[M+Na]+ 307.08419 184.2
[M+NH4]+ 302.12879 174.7
[M+K]+ 323.05813 175.2
[M-H]- 283.08769 168.5
[M+Na-2H]- 305.06964 171.9
[M]+ 284.09442 168.5
[M]- 284.09552 168.5
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.