CID 3010999

6-(1,2,3,4-tetrahydroisoquinolin-6-ylethynyl)naphthalene-2-carboximidamide

Structural Information

Molecular Formula
C22H19N3
SMILES
C1CNCC2=C1C=C(C=C2)C#CC3=CC4=C(C=C3)C=C(C=C4)C(=N)N
InChI
InChI=1S/C22H19N3/c23-22(24)20-8-7-17-11-15(3-5-18(17)13-20)1-2-16-4-6-21-14-25-10-9-19(21)12-16/h3-8,11-13,25H,9-10,14H2,(H3,23,24)
InChIKey
ACKRFKIRNILEQJ-UHFFFAOYSA-N
Compound name
6-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethynyl]naphthalene-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

325.1579 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.16518 186.5
[M+Na]+ 348.14712 194.8
[M-H]- 324.15062 187.8
[M+NH4]+ 343.19172 197.4
[M+K]+ 364.12106 182.1
[M+H-H2O]+ 308.15516 171.7
[M+HCOO]- 370.15610 196.9
[M+CH3COO]- 384.17175 192.6
[M+Na-2H]- 346.13257 188.6
[M]+ 325.15735 173.3
[M]- 325.15845 173.3
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

patents stripe