CID 5744067

89928-73-4

Structural Information

Molecular Formula
C20H19ClN2O2
SMILES
CN(C)CCOC(=O)C1=C(C2=CC=CC=C2C(=N1)Cl)C3=CC=CC=C3
InChI
InChI=1S/C20H19ClN2O2/c1-23(2)12-13-25-20(24)18-17(14-8-4-3-5-9-14)15-10-6-7-11-16(15)19(21)22-18/h3-11H,12-13H2,1-2H3
InChIKey
ZLSWZQFLQCIQJW-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 1-chloro-4-phenylisoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1135 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12078 183.1
[M+Na]+ 377.10272 191.0
[M-H]- 353.10622 190.3
[M+NH4]+ 372.14732 196.7
[M+K]+ 393.07666 185.7
[M+H-H2O]+ 337.11076 173.7
[M+HCOO]- 399.11170 200.2
[M+CH3COO]- 413.12735 219.0
[M+Na-2H]- 375.08817 187.0
[M]+ 354.11295 188.8
[M]- 354.11405 188.8
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.