CID 3125888

Tcmdc-124059

Structural Information

Molecular Formula
C21H24Br2N2O
SMILES
C1CCC(CC1)NCC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O
InChI
InChI=1S/C21H24Br2N2O/c22-14-6-8-20-18(10-14)19-11-15(23)7-9-21(19)25(20)13-17(26)12-24-16-4-2-1-3-5-16/h6-11,16-17,24,26H,1-5,12-13H2
InChIKey
KYRAOOTYQUJTIT-UHFFFAOYSA-N
Compound name
1-(cyclohexylamino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

56
Patents

478.02554 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.03282 191.2
[M+Na]+ 501.01476 185.7
[M+NH4]+ 496.05936 193.0
[M+K]+ 516.98870 191.0
[M-H]- 477.01826 193.2
[M+Na-2H]- 499.00021 190.7
[M]+ 478.02499 189.9
[M]- 478.02609 189.9
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