CID 2836195

1-(3,6-dibromo-9h-carbazol-9-yl)-3-[(2-methoxyphenyl)amino]propan-2-ol

Structural Information

Molecular Formula
C22H20Br2N2O2
SMILES
COC1=CC=CC=C1NCC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)O
InChI
InChI=1S/C22H20Br2N2O2/c1-28-22-5-3-2-4-19(22)25-12-16(27)13-26-20-8-6-14(23)10-17(20)18-11-15(24)7-9-21(18)26/h2-11,16,25,27H,12-13H2,1H3
InChIKey
MXAYNAQCXCOLSG-UHFFFAOYSA-N
Compound name
1-(3,6-dibromocarbazol-9-yl)-3-(2-methoxyanilino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

501.98914 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.99642 195.1
[M+Na]+ 524.97836 204.0
[M-H]- 500.98186 203.4
[M+NH4]+ 520.02296 208.6
[M+K]+ 540.95230 188.6
[M+H-H2O]+ 484.98640 201.1
[M+HCOO]- 546.98734 208.2
[M+CH3COO]- 561.00299 205.4
[M+Na-2H]- 522.96381 198.2
[M]+ 501.98859 231.1
[M]- 501.98969 231.1
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