CID 53337

Acridine, 9-(o-tert-butylanilino)-, hydrochloride

Structural Information

Molecular Formula
C23H22N2
SMILES
CC(C)(C)C1=CC=CC=C1NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C23H22N2/c1-23(2,3)18-12-6-9-15-21(18)25-22-16-10-4-7-13-19(16)24-20-14-8-5-11-17(20)22/h4-15H,1-3H3,(H,24,25)
InChIKey
AONJQUAWYALAIL-UHFFFAOYSA-N
Compound name
N-(2-tert-butylphenyl)acridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

326.17828 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18556 181.1
[M+Na]+ 349.16750 189.8
[M-H]- 325.17100 188.3
[M+NH4]+ 344.21210 195.5
[M+K]+ 365.14144 182.5
[M+H-H2O]+ 309.17554 171.2
[M+HCOO]- 371.17648 201.0
[M+CH3COO]- 385.19213 191.8
[M+Na-2H]- 347.15295 190.3
[M]+ 326.17773 182.2
[M]- 326.17883 182.2
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.