CID 3010982

2-naphthalenecarboximidamide, 6-[(2r)-2-(1,2,3,4-tetrahydro-2-methyl-1-phenyl-7-isoquinolinyl)cyclopropyl]-

Structural Information

Molecular Formula
C30H29N3
SMILES
CN1CCC2=C(C1C3=CC=CC=C3)C=C(C=C2)[C@@H]4CC4C5=CC6=C(C=C5)C=C(C=C6)C(=N)N
InChI
InChI=1S/C30H29N3/c1-33-14-13-19-7-10-24(17-28(19)29(33)20-5-3-2-4-6-20)27-18-26(27)23-11-8-22-16-25(30(31)32)12-9-21(22)15-23/h2-12,15-17,26-27,29H,13-14,18H2,1H3,(H3,31,32)/t26?,27-,29?/m0/s1
InChIKey
QJCNECVQRXGWQL-FNUUDZBGSA-N
Compound name
6-[(2R)-2-(2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl)cyclopropyl]naphthalene-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

431.23615 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.24343 201.0
[M+Na]+ 454.22537 207.7
[M-H]- 430.22887 212.1
[M+NH4]+ 449.26997 205.3
[M+K]+ 470.19931 198.7
[M+H-H2O]+ 414.23341 189.9
[M+HCOO]- 476.23435 217.4
[M+CH3COO]- 490.25000 208.1
[M+Na-2H]- 452.21082 202.4
[M]+ 431.23560 197.5
[M]- 431.23670 197.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.