CID 6912373

126356-30-7

Structural Information

Molecular Formula
C19H26N2O3
SMILES
CC1(CC2=CC(=C(C=C2/C(=C/C(=O)N3CCCC3)/N1)OC)OC)C
InChI
InChI=1S/C19H26N2O3/c1-19(2)12-13-9-16(23-3)17(24-4)10-14(13)15(20-19)11-18(22)21-7-5-6-8-21/h9-11,20H,5-8,12H2,1-4H3/b15-11-
InChIKey
NMOXKMZXKUYLPN-PTNGSMBKSA-N
Compound name
(2Z)-2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.19434 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.20162 181.6
[M+Na]+ 353.18356 191.7
[M+NH4]+ 348.22816 189.2
[M+K]+ 369.15750 185.5
[M-H]- 329.18706 182.8
[M+Na-2H]- 351.16901 185.2
[M]+ 330.19379 183.2
[M]- 330.19489 183.2
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.