CID 2836187

301353-96-8

Structural Information

Molecular Formula
C21H18Br2N2O
SMILES
C1=CC=C(C=C1)NCC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O
InChI
InChI=1S/C21H18Br2N2O/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/h1-11,17,24,26H,12-13H2
InChIKey
FZHHRERIIVOATI-UHFFFAOYSA-N
Compound name
1-anilino-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

114
Patents

471.97858 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.98586 189.1
[M+Na]+ 494.96780 198.1
[M-H]- 470.97130 197.4
[M+NH4]+ 490.01240 203.5
[M+K]+ 510.94174 182.3
[M+H-H2O]+ 454.97584 195.6
[M+HCOO]- 516.97678 202.5
[M+CH3COO]- 530.99243 199.7
[M+Na-2H]- 492.95325 193.2
[M]+ 471.97803 223.6
[M]- 471.97913 223.6
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

patents stripe