CID 3061240

3(2h)-isoquinolinone, 1,4-dihydro-6,7-dimethoxy-4-((dimethylamino)methylene)-

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CN(C)/C=C/1\C2=CC(=C(C=C2CNC1=O)OC)OC
InChI
InChI=1S/C14H18N2O3/c1-16(2)8-11-10-6-13(19-4)12(18-3)5-9(10)7-15-14(11)17/h5-6,8H,7H2,1-4H3,(H,15,17)/b11-8+
InChIKey
VMOOVAUPOMXGSM-DHZHZOJOSA-N
Compound name
(4E)-4-(dimethylaminomethylidene)-6,7-dimethoxy-1,2-dihydroisoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.139016 159.0
[M+Na]+ 285.120958 166.6
[M-H]- 261.124464 162.2
[M+NH4]+ 280.165563 175.6
[M+K]+ 301.094898 164.0
[M+H-H2O]+ 245.129000 151.8
[M+HCOO]- 307.129941 178.6
[M+CH3COO]- 321.145591 201.6
[M+Na-2H]- 283.106406 162.4
[M]+ 262.13119142 160.2
[M]- 262.13228858 160.2
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.