CID 215951

36855-66-0

Structural Information

Molecular Formula
C16H17N3O
SMILES
C1CCC2=C(C1)C=CN=C2NC(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C16H17N3O/c17-13-7-5-12(6-8-13)16(20)19-15-14-4-2-1-3-11(14)9-10-18-15/h5-10H,1-4,17H2,(H,18,19,20)
InChIKey
YSTXQGUTCVJSPI-UHFFFAOYSA-N
Compound name
4-amino-N-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.13718 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.144456 160.2
[M+Na]+ 290.126398 165.5
[M-H]- 266.129904 165.3
[M+NH4]+ 285.171003 175.0
[M+K]+ 306.100338 160.7
[M+H-H2O]+ 250.134440 151.2
[M+HCOO]- 312.135381 180.4
[M+CH3COO]- 326.151031 170.6
[M+Na-2H]- 288.111846 165.9
[M]+ 267.13663142 154.9
[M]- 267.13772858 154.9
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.