CID 51971

9-(4-methylanilino)-acridine

Structural Information

Molecular Formula
C20H16N2
SMILES
CC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C20H16N2/c1-14-10-12-15(13-11-14)21-20-16-6-2-4-8-18(16)22-19-9-5-3-7-17(19)20/h2-13H,1H3,(H,21,22)
InChIKey
KTFWKOXVMZSFHO-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)acridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

6
Patents

284.13135 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13863 165.3
[M+Na]+ 307.12057 175.0
[M-H]- 283.12407 172.7
[M+NH4]+ 302.16517 181.3
[M+K]+ 323.09451 167.7
[M+H-H2O]+ 267.12861 155.6
[M+HCOO]- 329.12955 188.0
[M+CH3COO]- 343.14520 177.3
[M+Na-2H]- 305.10602 175.6
[M]+ 284.13080 166.0
[M]- 284.13190 166.0
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