CID 53335

9-(o-isopropylanilino)acridine hydrochloride

Structural Information

Molecular Formula
C22H20N2
SMILES
CC(C)C1=CC=CC=C1NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C22H20N2/c1-15(2)16-9-3-6-12-19(16)24-22-17-10-4-7-13-20(17)23-21-14-8-5-11-18(21)22/h3-15H,1-2H3,(H,23,24)
InChIKey
XQYXUACMFMBAOZ-UHFFFAOYSA-N
Compound name
N-(2-propan-2-ylphenyl)acridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

312.16266 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16994 174.9
[M+Na]+ 335.15188 183.2
[M-H]- 311.15538 181.9
[M+NH4]+ 330.19648 189.6
[M+K]+ 351.12582 176.0
[M+H-H2O]+ 295.15992 164.8
[M+HCOO]- 357.16086 195.8
[M+CH3COO]- 371.17651 185.8
[M+Na-2H]- 333.13733 182.9
[M]+ 312.16211 175.6
[M]- 312.16321 175.6
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

No patent data available for this compound.