CID 13230073

89928-59-6

Structural Information

Molecular Formula
C15H17ClN2O2
SMILES
CC1=C(N=C(C2=CC=CC=C12)Cl)C(=O)OCCN(C)C
InChI
InChI=1S/C15H17ClN2O2/c1-10-11-6-4-5-7-12(11)14(16)17-13(10)15(19)20-9-8-18(2)3/h4-7H,8-9H2,1-3H3
InChIKey
CBRWFYLZPXDGBQ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 1-chloro-4-methylisoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.09787 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.105146 165.4
[M+Na]+ 315.087088 174.4
[M-H]- 291.090594 170.0
[M+NH4]+ 310.131693 182.3
[M+K]+ 331.061028 170.7
[M+H-H2O]+ 275.095130 158.2
[M+HCOO]- 337.096071 183.1
[M+CH3COO]- 351.111721 208.3
[M+Na-2H]- 313.072536 169.5
[M]+ 292.09732142 172.0
[M]- 292.09841858 172.0
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.