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]+ 268.14446 160.2
[M+Na]+ 290.12640 165.5
[M-H]- 266.12990 165.3
[M+NH4]+ 285.17100 175.0
[M+K]+ 306.10034 160.7
[M+H-H2O]+ 250.13444 151.2
[M+HCOO]- 312.13538 180.4
[M+CH3COO]- 326.15103 170.6
[M+Na-2H]- 288.11185 165.9
[M]+ 267.13663 154.9
[M]- 267.13773 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.