CID 76861

7-methylbenz(c)acridine

Structural Information

Molecular Formula
C18H13N
SMILES
CC1=C2C=CC3=CC=CC=C3C2=NC4=CC=CC=C14
InChI
InChI=1S/C18H13N/c1-12-14-7-4-5-9-17(14)19-18-15(12)11-10-13-6-2-3-8-16(13)18/h2-11H,1H3
InChIKey
LZUFUDJVBHLHFC-UHFFFAOYSA-N
Compound name
7-methylbenzo[c]acridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

29
Patents

243.1048 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.112076 153.5
[M+Na]+ 266.094018 164.8
[M-H]- 242.097524 159.0
[M+NH4]+ 261.138623 172.9
[M+K]+ 282.067958 158.0
[M+H-H2O]+ 226.102060 144.8
[M+HCOO]- 288.103001 174.3
[M+CH3COO]- 302.118651 166.5
[M+Na-2H]- 264.079466 164.8
[M]+ 243.10425142 155.4
[M]- 243.10534858 155.4
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

patents stripe