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 196.1
[M+Na]+ 437.07940 206.5
[M-H]- 413.08290 201.8
[M+NH4]+ 432.12400 209.9
[M+K]+ 453.05334 198.1
[M+H-H2O]+ 397.08744 188.4
[M+HCOO]- 459.08838 207.2
[M+CH3COO]- 473.10403 205.8
[M+Na-2H]- 435.06485 198.2
[M]+ 414.08963 203.6
[M]- 414.09073 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.