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]+ 415.09746 196.8
[M+Na]+ 437.07940 213.7
[M+NH4]+ 432.12400 205.7
[M+K]+ 453.05334 205.0
[M-H]- 413.08290 202.2
[M+Na-2H]- 435.06485 204.1
[M]+ 414.08963 201.5
[M]- 414.09073 201.5
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

No patent data available for this compound.