CID 3103959

Tcmdc-125716

Structural Information

Molecular Formula
C21H17Cl3N2O
SMILES
C1=CC(=CC(=C1)Cl)NCC(CN2C3=C(C=C(C=C3)Cl)C4=C2C=CC(=C4)Cl)O
InChI
InChI=1S/C21H17Cl3N2O/c22-13-2-1-3-16(8-13)25-11-17(27)12-26-20-6-4-14(23)9-18(20)19-10-15(24)5-7-21(19)26/h1-10,17,25,27H,11-12H2
InChIKey
FUHPNRVLZBWEGK-UHFFFAOYSA-N
Compound name
1-(3-chloroanilino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.04065 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.04793 194.4
[M+Na]+ 441.02987 205.4
[M-H]- 417.03337 198.7
[M+NH4]+ 436.07447 208.1
[M+K]+ 457.00381 196.1
[M+H-H2O]+ 401.03791 187.4
[M+HCOO]- 463.03885 200.2
[M+CH3COO]- 477.05450 203.5
[M+Na-2H]- 439.01532 195.7
[M]+ 418.04010 200.6
[M]- 418.04120 200.6
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.