CID 32406

5-phenyl-3,4-dihydro-2(1h)-isoquinolinecarboxamidine hydrochloride

Structural Information

Molecular Formula
C16H17N3
SMILES
C1CN(CC2=C1C(=CC=C2)C3=CC=CC=C3)C(=N)N
InChI
InChI=1S/C16H17N3/c17-16(18)19-10-9-15-13(11-19)7-4-8-14(15)12-5-2-1-3-6-12/h1-8H,9-11H2,(H3,17,18)
InChIKey
AFMXSZQWDUTCBT-UHFFFAOYSA-N
Compound name
5-phenyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.14224 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.14952 157.2
[M+Na]+ 274.13146 162.6
[M-H]- 250.13496 162.3
[M+NH4]+ 269.17606 172.8
[M+K]+ 290.10540 157.2
[M+H-H2O]+ 234.13950 148.5
[M+HCOO]- 296.14044 177.2
[M+CH3COO]- 310.15609 167.8
[M+Na-2H]- 272.11691 162.9
[M]+ 251.14169 150.5
[M]- 251.14279 150.5
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.