CID 447734

6-[(z)-amino(imino)methyl]-n-[3-(cyclopentyloxy)phenyl]-2-naphthamide

Structural Information

Molecular Formula
C23H23N3O2
SMILES
C1CCC(C1)OC2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)C=C(C=C4)C(=N)N
InChI
InChI=1S/C23H23N3O2/c24-22(25)17-10-8-16-13-18(11-9-15(16)12-17)23(27)26-19-4-3-7-21(14-19)28-20-5-1-2-6-20/h3-4,7-14,20H,1-2,5-6H2,(H3,24,25)(H,26,27)
InChIKey
FWTQOPWAMQXIMI-UHFFFAOYSA-N
Compound name
6-carbamimidoyl-N-(3-cyclopentyloxyphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

373.17902 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.18630 186.5
[M+Na]+ 396.16824 189.5
[M-H]- 372.17174 195.9
[M+NH4]+ 391.21284 199.2
[M+K]+ 412.14218 184.0
[M+H-H2O]+ 356.17628 177.2
[M+HCOO]- 418.17722 208.0
[M+CH3COO]- 432.19287 195.3
[M+Na-2H]- 394.15369 187.3
[M]+ 373.17847 181.3
[M]- 373.17957 181.3
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