CID 3073396

Morpholine, 4-((1,2-dihydro-2-methyl-1-oxo-4-isoquinolinyl)carbonyl)-

Structural Information

Molecular Formula
C15H16N2O3
SMILES
CN1C=C(C2=CC=CC=C2C1=O)C(=O)N3CCOCC3
InChI
InChI=1S/C15H16N2O3/c1-16-10-13(15(19)17-6-8-20-9-7-17)11-4-2-3-5-12(11)14(16)18/h2-5,10H,6-9H2,1H3
InChIKey
NPHAJQZQROIFCT-UHFFFAOYSA-N
Compound name
2-methyl-4-(morpholine-4-carbonyl)isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1161 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.123376 161.4
[M+Na]+ 295.105318 168.9
[M-H]- 271.108824 166.5
[M+NH4]+ 290.149923 174.3
[M+K]+ 311.079258 166.2
[M+H-H2O]+ 255.113360 151.9
[M+HCOO]- 317.114301 177.1
[M+CH3COO]- 331.129951 172.3
[M+Na-2H]- 293.090766 166.3
[M]+ 272.11555142 160.1
[M]- 272.11664858 160.1
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.