CID 204158

15832-21-0

Structural Information

Molecular Formula
C20H22N2O2
SMILES
COC1=C(C=C2C(NCCC2=C1)CC3=CNC4=CC=CC=C43)OC
InChI
InChI=1S/C20H22N2O2/c1-23-19-10-13-7-8-21-18(16(13)11-20(19)24-2)9-14-12-22-17-6-4-3-5-15(14)17/h3-6,10-12,18,21-22H,7-9H2,1-2H3
InChIKey
XVIUOHLUFLSLMA-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-ylmethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.16812 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 177.0
[M+Na]+ 345.15734 185.1
[M-H]- 321.16084 180.3
[M+NH4]+ 340.20194 191.1
[M+K]+ 361.13128 177.9
[M+H-H2O]+ 305.16538 168.0
[M+HCOO]- 367.16632 192.7
[M+CH3COO]- 381.18197 186.6
[M+Na-2H]- 343.14279 180.1
[M]+ 322.16757 176.6
[M]- 322.16867 176.6
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

patents stripe