CID 32406

2(1h)-isoquinolinecarboxamidine, 3,4-dihydro-5-phenyl-, 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]+ 252.149516 157.2
[M+Na]+ 274.131458 162.6
[M-H]- 250.134964 162.3
[M+NH4]+ 269.176063 172.8
[M+K]+ 290.105398 157.2
[M+H-H2O]+ 234.139500 148.5
[M+HCOO]- 296.140441 177.2
[M+CH3COO]- 310.156091 167.8
[M+Na-2H]- 272.116906 162.9
[M]+ 251.14169142 150.5
[M]- 251.14278858 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.