CID 3103958

1-carbazol-9-yl-3-(3-chloro-phenylamino)-propan-2-ol

Structural Information

Molecular Formula
C21H19ClN2O
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2CC(CNC4=CC(=CC=C4)Cl)O
InChI
InChI=1S/C21H19ClN2O/c22-15-6-5-7-16(12-15)23-13-17(25)14-24-20-10-3-1-8-18(20)19-9-2-4-11-21(19)24/h1-12,17,23,25H,13-14H2
InChIKey
KITYXOSZSFHNRT-UHFFFAOYSA-N
Compound name
1-carbazol-9-yl-3-(3-chloroanilino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1186 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.12588 181.6
[M+Na]+ 373.10782 190.6
[M-H]- 349.11132 187.5
[M+NH4]+ 368.15242 197.0
[M+K]+ 389.08176 182.2
[M+H-H2O]+ 333.11586 173.4
[M+HCOO]- 395.11680 198.0
[M+CH3COO]- 409.13245 192.1
[M+Na-2H]- 371.09327 186.3
[M]+ 350.11805 185.1
[M]- 350.11915 185.1
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

No patent data available for this compound.