CID 3061240

4-dimethylaminomethylene-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-one

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]+ 263.13902 159.0
[M+Na]+ 285.12096 166.6
[M-H]- 261.12446 162.2
[M+NH4]+ 280.16556 175.6
[M+K]+ 301.09490 164.0
[M+H-H2O]+ 245.12900 151.8
[M+HCOO]- 307.12994 178.6
[M+CH3COO]- 321.14559 201.6
[M+Na-2H]- 283.10641 162.4
[M]+ 262.13119 160.2
[M]- 262.13229 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.