CID 447731

6-[n-(4-ethyl-1,2,3,4-tetrahydro-6-isoquinolinyl)carbamyl]-2-naphthalenecarboxamidine

Structural Information

Molecular Formula
C23H24N4O
SMILES
CC[C@H]1CNCC2=C1C=C(C=C2)NC(=O)C3=CC4=C(C=C3)C=C(C=C4)C(=N)N
InChI
InChI=1S/C23H24N4O/c1-2-14-12-26-13-19-7-8-20(11-21(14)19)27-23(28)18-6-4-15-9-17(22(24)25)5-3-16(15)10-18/h3-11,14,26H,2,12-13H2,1H3,(H3,24,25)(H,27,28)/t14-/m0/s1
InChIKey
LVNMYQLXKMSQTG-AWEZNQCLSA-N
Compound name
6-carbamimidoyl-N-[(4R)-4-ethyl-1,2,3,4-tetrahydroisoquinolin-6-yl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

372.195 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.20228 187.5
[M+Na]+ 395.18422 191.3
[M-H]- 371.18772 191.7
[M+NH4]+ 390.22882 197.9
[M+K]+ 411.15816 184.2
[M+H-H2O]+ 355.19226 177.8
[M+HCOO]- 417.19320 203.4
[M+CH3COO]- 431.20885 194.7
[M+Na-2H]- 393.16967 190.6
[M]+ 372.19445 180.4
[M]- 372.19555 180.4
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