CID 265213

Nsc101056

Structural Information

Molecular Formula
C21H24N2O
SMILES
CCOCC1C2=CC=CC=C2CCN1CC3=CNC4=CC=CC=C43
InChI
InChI=1S/C21H24N2O/c1-2-24-15-21-19-9-4-3-7-16(19)11-12-23(21)14-17-13-22-20-10-6-5-8-18(17)20/h3-10,13,21-22H,2,11-12,14-15H2,1H3
InChIKey
YQTCYADVPQXATE-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-2-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.18887 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19615 178.0
[M+Na]+ 343.17809 185.4
[M-H]- 319.18159 182.0
[M+NH4]+ 338.22269 192.6
[M+K]+ 359.15203 178.0
[M+H-H2O]+ 303.18613 168.3
[M+HCOO]- 365.18707 194.8
[M+CH3COO]- 379.20272 187.7
[M+Na-2H]- 341.16354 181.5
[M]+ 320.18832 177.9
[M]- 320.18942 177.9
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.