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]+ 331.201616 181.4
[M+Na]+ 353.183558 187.4
[M-H]- 329.187064 184.3
[M+NH4]+ 348.228163 196.8
[M+K]+ 369.157498 182.7
[M+H-H2O]+ 313.191600 173.3
[M+HCOO]- 375.192541 194.6
[M+CH3COO]- 389.208191 207.1
[M+Na-2H]- 351.169006 180.0
[M]+ 330.19379142 179.2
[M]- 330.19488858 179.2
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.