CID 3038886

41957-25-9

Structural Information

Molecular Formula
C17H18N2O
SMILES
CN1CCC2=C(C1)C=CC=C2NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H18N2O/c1-19-11-10-15-14(12-19)8-5-9-16(15)18-17(20)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,18,20)
InChIKey
XGMDBMXEIAXDGE-UHFFFAOYSA-N
Compound name
N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

266.1419 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.14918 161.5
[M+Na]+ 289.13112 167.1
[M-H]- 265.13462 167.0
[M+NH4]+ 284.17572 176.9
[M+K]+ 305.10506 162.4
[M+H-H2O]+ 249.13916 152.5
[M+HCOO]- 311.14010 180.9
[M+CH3COO]- 325.15575 172.2
[M+Na-2H]- 287.11657 167.0
[M]+ 266.14135 158.0
[M]- 266.14245 158.0
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

patents stripe