CID 447732

6-(n-phenylcarbamyl)-2-naphthalenecarboxamidine

Structural Information

Molecular Formula
C18H15N3O
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C=C(C=C3)C(=N)N
InChI
InChI=1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
InChIKey
AECPTICWHONWNW-UHFFFAOYSA-N
Compound name
6-carbamimidoyl-N-phenylnaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

26
Patents

289.12152 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12880 165.2
[M+Na]+ 312.11074 170.7
[M-H]- 288.11424 172.2
[M+NH4]+ 307.15534 180.0
[M+K]+ 328.08468 165.5
[M+H-H2O]+ 272.11878 156.7
[M+HCOO]- 334.11972 189.0
[M+CH3COO]- 348.13537 175.9
[M+Na-2H]- 310.09619 171.0
[M]+ 289.12097 161.0
[M]- 289.12207 161.0
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