CID 447735

6-[n-(1-isopropyl-3,4-dihydro-7-isoquinolinyl)carbamyl]-2-naphthalenecarboxamidine

Structural Information

Molecular Formula
C24H24N4O
SMILES
CC(C)C1=NCCC2=C1C=C(C=C2)NC(=O)C3=CC4=C(C=C3)C=C(C=C4)C(=N)N
InChI
InChI=1S/C24H24N4O/c1-14(2)22-21-13-20(8-7-15(21)9-10-27-22)28-24(29)19-6-4-16-11-18(23(25)26)5-3-17(16)12-19/h3-8,11-14H,9-10H2,1-2H3,(H3,25,26)(H,28,29)
InChIKey
XRHANBWAKSYPEN-UHFFFAOYSA-N
Compound name
6-carbamimidoyl-N-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

384.195 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.20228 192.5
[M+Na]+ 407.18422 196.8
[M-H]- 383.18772 198.3
[M+NH4]+ 402.22882 203.0
[M+K]+ 423.15816 190.7
[M+H-H2O]+ 367.19226 182.3
[M+HCOO]- 429.19320 209.8
[M+CH3COO]- 443.20885 200.2
[M+Na-2H]- 405.16967 195.1
[M]+ 384.19445 188.2
[M]- 384.19555 188.2
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