CID 25926

9-(p-dimethylaminoanilino)acridine

Structural Information

Molecular Formula
C21H19N3
SMILES
CN(C)C1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C21H19N3/c1-24(2)16-13-11-15(12-14-16)22-21-17-7-3-5-9-19(17)23-20-10-6-4-8-18(20)21/h3-14H,1-2H3,(H,22,23)
InChIKey
WBERNRVMJQYKKR-UHFFFAOYSA-N
Compound name
1-N-acridin-9-yl-4-N,4-N-dimethylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

4
Patents

313.1579 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.16518 173.3
[M+Na]+ 336.14712 181.6
[M-H]- 312.15062 181.8
[M+NH4]+ 331.19172 188.3
[M+K]+ 352.12106 175.6
[M+H-H2O]+ 296.15516 162.8
[M+HCOO]- 358.15610 197.1
[M+CH3COO]- 372.17175 184.7
[M+Na-2H]- 334.13257 182.9
[M]+ 313.15735 174.9
[M]- 313.15845 174.9
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