CID 37748

Brn 0492421

Structural Information

Molecular Formula
C17H17ClN2O
SMILES
CN1CCC2=C(C1)C=CC=C2NC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C17H17ClN2O/c1-20-10-9-13-12(11-20)5-4-8-16(13)19-17(21)14-6-2-3-7-15(14)18/h2-8H,9-11H2,1H3,(H,19,21)
InChIKey
NBMVGDLKBKIFCM-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.10294 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11022 168.7
[M+Na]+ 323.09216 176.0
[M-H]- 299.09566 174.2
[M+NH4]+ 318.13676 183.9
[M+K]+ 339.06610 169.7
[M+H-H2O]+ 283.10020 160.4
[M+HCOO]- 345.10114 183.4
[M+CH3COO]- 359.11679 179.3
[M+Na-2H]- 321.07761 172.9
[M]+ 300.10239 167.9
[M]- 300.10349 167.9
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

patents stripe