CID 47002604

2-benzyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide

Structural Information

Molecular Formula
C17H19N3O
SMILES
C1C(N(CC2=CC=CC=C21)CC3=CC=CC=C3)C(=O)NN
InChI
InChI=1S/C17H19N3O/c18-19-17(21)16-10-14-8-4-5-9-15(14)12-20(16)11-13-6-2-1-3-7-13/h1-9,16H,10-12,18H2,(H,19,21)
InChIKey
MTDRXNJHYAJIQZ-UHFFFAOYSA-N
Compound name
2-benzyl-3,4-dihydro-1H-isoquinoline-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1528 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.160076 164.7
[M+Na]+ 304.142018 169.5
[M-H]- 280.145524 169.6
[M+NH4]+ 299.186623 178.9
[M+K]+ 320.115958 164.4
[M+H-H2O]+ 264.150060 155.5
[M+HCOO]- 326.151001 184.5
[M+CH3COO]- 340.166651 174.6
[M+Na-2H]- 302.127466 169.8
[M]+ 281.15225142 159.6
[M]- 281.15334858 159.6
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.