CID 139026770

N-[(4-bromophenyl)methyl]-6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1h-carbazol-1-amine

Structural Information

Molecular Formula
C20H18BrF3N2O
SMILES
C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)OC(F)(F)F)NCC4=CC=C(C=C4)Br
InChI
InChI=1S/C20H18BrF3N2O/c21-13-6-4-12(5-7-13)11-25-18-3-1-2-15-16-10-14(27-20(22,23)24)8-9-17(16)26-19(15)18/h4-10,18,25-26H,1-3,11H2
InChIKey
GPIMQAFFCZMQFI-UHFFFAOYSA-N
Compound name
N-[(4-bromophenyl)methyl]-6-(trifluoromethoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.05545 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.06273 201.0
[M+Na]+ 461.04467 211.5
[M-H]- 437.04817 205.4
[M+NH4]+ 456.08927 215.8
[M+K]+ 477.01861 196.8
[M+H-H2O]+ 421.05271 196.7
[M+HCOO]- 483.05365 213.3
[M+CH3COO]- 497.06930 210.6
[M+Na-2H]- 459.03012 204.1
[M]+ 438.05490 214.8
[M]- 438.05600 214.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.