CID 56022

89928-93-8

Structural Information

Molecular Formula
C15H18ClN3O
SMILES
CC1=C(N=C(C2=CC=CC=C12)Cl)C(=O)NCCN(C)C
InChI
InChI=1S/C15H18ClN3O/c1-10-11-6-4-5-7-12(11)14(16)18-13(10)15(20)17-8-9-19(2)3/h4-7H,8-9H2,1-3H3,(H,17,20)
InChIKey
FRSNESHNITVVQH-UHFFFAOYSA-N
Compound name
1-chloro-N-[2-(dimethylamino)ethyl]-4-methylisoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.11383 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12111 167.3
[M+Na]+ 314.10305 175.5
[M-H]- 290.10655 171.8
[M+NH4]+ 309.14765 184.0
[M+K]+ 330.07699 171.3
[M+H-H2O]+ 274.11109 160.0
[M+HCOO]- 336.11203 185.8
[M+CH3COO]- 350.12768 211.2
[M+Na-2H]- 312.08850 171.8
[M]+ 291.11328 171.8
[M]- 291.11438 171.8
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.