CID 2858492

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

Structural Information

Molecular Formula
C23H22Br2N2O3
SMILES
COC1=CC(=C(C=C1)NCC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O)OC
InChI
InChI=1S/C23H22Br2N2O3/c1-29-17-5-6-20(23(11-17)30-2)26-12-16(28)13-27-21-7-3-14(24)9-18(21)19-10-15(25)4-8-22(19)27/h3-11,16,26,28H,12-13H2,1-2H3
InChIKey
ZPAZLWLHKYMVKG-UHFFFAOYSA-N
Compound name
1-(3,6-dibromocarbazol-9-yl)-3-(2,4-dimethoxyanilino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

95
Patents

531.9997 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.00698 200.9
[M+Na]+ 554.98892 209.6
[M-H]- 530.99242 209.2
[M+NH4]+ 550.03352 213.4
[M+K]+ 570.96286 194.7
[M+H-H2O]+ 514.99696 206.5
[M+HCOO]- 576.99790 213.6
[M+CH3COO]- 591.01355 210.8
[M+Na-2H]- 552.97437 203.0
[M]+ 531.99915 238.3
[M]- 532.00025 238.3
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