CID 2836202

328076-93-3

Structural Information

Molecular Formula
C21H17Br3N2O
SMILES
C1=CC(=CC=C1NCC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O)Br
InChI
InChI=1S/C21H17Br3N2O/c22-13-1-5-16(6-2-13)25-11-17(27)12-26-20-7-3-14(23)9-18(20)19-10-15(24)4-8-21(19)26/h1-10,17,25,27H,11-12H2
InChIKey
UXKLJRMGMUBVRB-UHFFFAOYSA-N
Compound name
1-(4-bromoanilino)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

549.8891 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.89638 182.5
[M+Na]+ 572.87832 188.4
[M-H]- 548.88182 188.9
[M+NH4]+ 567.92292 193.5
[M+K]+ 588.85226 174.2
[M+H-H2O]+ 532.88636 196.3
[M+HCOO]- 594.88730 190.5
[M+CH3COO]- 608.90295 190.7
[M+Na-2H]- 570.86377 184.6
[M]+ 549.88855 223.6
[M]- 549.88965 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

No literature data available for this compound.

Patent stripe

patents stripe