CID 146095

Gastrophenzine

Structural Information

Molecular Formula
C19H21ClN2O2
SMILES
CCOC(=O)NC1=CC=CC2=C1CN(CC2C3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C19H21ClN2O2/c1-3-24-19(23)21-18-6-4-5-15-16(11-22(2)12-17(15)18)13-7-9-14(20)10-8-13/h4-10,16H,3,11-12H2,1-2H3,(H,21,23)
InChIKey
FPTRJSPPLNSVIB-UHFFFAOYSA-N
Compound name
ethyl N-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

9
Patents

344.12915 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13643 181.2
[M+Na]+ 367.11837 188.5
[M-H]- 343.12187 186.9
[M+NH4]+ 362.16297 195.0
[M+K]+ 383.09231 182.5
[M+H-H2O]+ 327.12641 172.6
[M+HCOO]- 389.12735 195.4
[M+CH3COO]- 403.14300 214.0
[M+Na-2H]- 365.10382 183.7
[M]+ 344.12860 182.9
[M]- 344.12970 182.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe