CID 447733

6-[n-(4-(aminomethyl)phenyl)carbamyl]-2-naphthalenecarboxamidine

Structural Information

Molecular Formula
C19H18N4O
SMILES
C1=CC(=CC=C1CN)NC(=O)C2=CC3=C(C=C2)C=C(C=C3)C(=N)N
InChI
InChI=1S/C19H18N4O/c20-11-12-1-7-17(8-2-12)23-19(24)16-6-4-13-9-15(18(21)22)5-3-14(13)10-16/h1-10H,11,20H2,(H3,21,22)(H,23,24)
InChIKey
NLBDETRVUYOIHQ-UHFFFAOYSA-N
Compound name
N-[4-(aminomethyl)phenyl]-6-carbamimidoylnaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

17
Patents

318.14807 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15535 173.4
[M+Na]+ 341.13729 178.5
[M-H]- 317.14079 179.9
[M+NH4]+ 336.18189 186.7
[M+K]+ 357.11123 173.2
[M+H-H2O]+ 301.14533 164.6
[M+HCOO]- 363.14627 197.1
[M+CH3COO]- 377.16192 219.4
[M+Na-2H]- 339.12274 177.5
[M]+ 318.14752 168.3
[M]- 318.14862 168.3
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