CID 168664755

1-[4-(4-chlorophenyl)-3h-pyrrolo[2,3-c]quinolin-7-yl]ethane-1,1-diol

Structural Information

Molecular Formula
C19H15ClN2O2
SMILES
CC(C1=CC2=NC(=C3C(=C2C=C1)C=CN3)C4=CC=C(C=C4)Cl)(O)O
InChI
InChI=1S/C19H15ClN2O2/c1-19(23,24)12-4-7-14-15-8-9-21-18(15)17(22-16(14)10-12)11-2-5-13(20)6-3-11/h2-10,21,23-24H,1H3
InChIKey
BWXAPYLJJNCZCA-UHFFFAOYSA-N
Compound name
1-[4-(4-chlorophenyl)-3H-pyrrolo[2,3-c]quinolin-7-yl]ethane-1,1-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.0822 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08948 178.8
[M+Na]+ 361.07142 190.1
[M-H]- 337.07492 182.0
[M+NH4]+ 356.11602 192.7
[M+K]+ 377.04536 181.3
[M+H-H2O]+ 321.07946 171.5
[M+HCOO]- 383.08040 190.0
[M+CH3COO]- 397.09605 189.1
[M+Na-2H]- 359.05687 184.6
[M]+ 338.08165 181.2
[M]- 338.08275 181.2
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.