CID 73397

N-methyltetrahydropapaverine

Structural Information

Molecular Formula
C21H27NO4
SMILES
CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC
InChI
InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3/t17-/m0/s1
InChIKey
KGPAYJZAMGEDIQ-KRWDZBQOSA-N
Compound name
(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

163
References

528
Patents

357.194 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.20128 187.3
[M+Na]+ 380.18322 195.0
[M-H]- 356.18672 193.4
[M+NH4]+ 375.22782 200.3
[M+K]+ 396.15716 191.8
[M+H-H2O]+ 340.19126 177.6
[M+HCOO]- 402.19220 205.3
[M+CH3COO]- 416.20785 219.2
[M+Na-2H]- 378.16867 188.4
[M]+ 357.19345 193.0
[M]- 357.19455 193.0
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.