CID 3021583

89928-79-0

Structural Information

Molecular Formula
C16H18N2O3
SMILES
CC1=C(N=C(C2=CC=CC=C12)N3CCOCC3)C(=O)OC
InChI
InChI=1S/C16H18N2O3/c1-11-12-5-3-4-6-13(12)15(17-14(11)16(19)20-2)18-7-9-21-10-8-18/h3-6H,7-10H2,1-2H3
InChIKey
SKRPVZOIWOQWCE-UHFFFAOYSA-N
Compound name
methyl 4-methyl-1-morpholin-4-ylisoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.13174 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.139016 166.8
[M+Na]+ 309.120958 173.6
[M-H]- 285.124464 171.7
[M+NH4]+ 304.165563 179.1
[M+K]+ 325.094898 171.3
[M+H-H2O]+ 269.129000 157.0
[M+HCOO]- 331.129941 182.0
[M+CH3COO]- 345.145591 201.3
[M+Na-2H]- 307.106406 171.1
[M]+ 286.13119142 166.5
[M]- 286.13228858 166.5
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.