CID 2836194

1-(3,6-dichloro-carbazol-9-yl)-3-(2-methoxy-phenylamino)-propan-2-ol

Structural Information

Molecular Formula
C22H20Cl2N2O2
SMILES
COC1=CC=CC=C1NCC(CN2C3=C(C=C(C=C3)Cl)C4=C2C=CC(=C4)Cl)O
InChI
InChI=1S/C22H20Cl2N2O2/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
IYASSKGRGYLLQJ-UHFFFAOYSA-N
Compound name
1-(3,6-dichlorocarbazol-9-yl)-3-(2-methoxyanilino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

414.09018 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.097456 196.1
[M+Na]+ 437.079398 206.5
[M-H]- 413.082904 201.8
[M+NH4]+ 432.124003 209.9
[M+K]+ 453.053338 198.1
[M+H-H2O]+ 397.087440 188.4
[M+HCOO]- 459.088381 207.2
[M+CH3COO]- 473.104031 205.8
[M+Na-2H]- 435.064846 198.2
[M]+ 414.08963142 203.6
[M]- 414.09072858 203.6
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

No patent data available for this compound.