CID 2836209

1-(3,6-dibromo-carbazol-9-yl)-3-(4-ethoxy-phenylamino)-propan-2-ol

Structural Information

Molecular Formula
C23H22Br2N2O2
SMILES
CCOC1=CC=C(C=C1)NCC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O
InChI
InChI=1S/C23H22Br2N2O2/c1-2-29-19-7-5-17(6-8-19)26-13-18(28)14-27-22-9-3-15(24)11-20(22)21-12-16(25)4-10-23(21)27/h3-12,18,26,28H,2,13-14H2,1H3
InChIKey
GVPHPWUTLBUVGR-UHFFFAOYSA-N
Compound name
1-(3,6-dibromocarbazol-9-yl)-3-(4-ethoxyanilino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

97
Patents

516.0048 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.01208 199.2
[M+Na]+ 538.99402 207.6
[M-H]- 514.99752 207.2
[M+NH4]+ 534.03862 212.1
[M+K]+ 554.96796 192.1
[M+H-H2O]+ 499.00206 205.0
[M+HCOO]- 561.00300 211.9
[M+CH3COO]- 575.01865 209.0
[M+Na-2H]- 536.97947 201.7
[M]+ 516.00425 235.3
[M]- 516.00535 235.3
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