CID 3025612

9-((phenylmethyl)amino)-6-(trifluoromethyl)-1,2,3,4-tetrahydro-1-acridinol

Structural Information

Molecular Formula
C21H19F3N2O
SMILES
C1CC(C2=C(C3=C(C=C(C=C3)C(F)(F)F)N=C2C1)NCC4=CC=CC=C4)O
InChI
InChI=1S/C21H19F3N2O/c22-21(23,24)14-9-10-15-17(11-14)26-16-7-4-8-18(27)19(16)20(15)25-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,18,27H,4,7-8,12H2,(H,25,26)
InChIKey
XDFZZQNTAWSQRW-UHFFFAOYSA-N
Compound name
9-(benzylamino)-6-(trifluoromethyl)-1,2,3,4-tetrahydroacridin-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

372.14496 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15224 187.1
[M+Na]+ 395.13418 194.2
[M-H]- 371.13768 188.3
[M+NH4]+ 390.17878 198.7
[M+K]+ 411.10812 186.3
[M+H-H2O]+ 355.14222 175.0
[M+HCOO]- 417.14316 198.9
[M+CH3COO]- 431.15881 194.8
[M+Na-2H]- 393.11963 191.6
[M]+ 372.14441 180.3
[M]- 372.14551 180.3
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