CID 5744069

89928-74-5

Structural Information

Molecular Formula
C22H23ClN2O2
SMILES
CCN(CC)CCOC(=O)C1=C(C2=CC=CC=C2C(=N1)Cl)C3=CC=CC=C3
InChI
InChI=1S/C22H23ClN2O2/c1-3-25(4-2)14-15-27-22(26)20-19(16-10-6-5-7-11-16)17-12-8-9-13-18(17)21(23)24-20/h5-13H,3-4,14-15H2,1-2H3
InChIKey
JWVHNABPYQJIBJ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 1-chloro-4-phenylisoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.1448 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.15208 191.7
[M+Na]+ 405.13402 207.4
[M+NH4]+ 400.17862 199.9
[M+K]+ 421.10796 197.7
[M-H]- 381.13752 197.2
[M+Na-2H]- 403.11947 200.2
[M]+ 382.14425 196.0
[M]- 382.14535 196.0
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.