CID 14623

Biguanide, 1-(2-naphthyl)-, hydrochloride

Structural Information

Molecular Formula
C12H13N5
SMILES
C1=CC=C2C=C(C=CC2=C1)N=C(N)N=C(N)N
InChI
InChI=1S/C12H13N5/c13-11(14)17-12(15)16-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H6,13,14,15,16,17)
InChIKey
RDLIBCPWPNCFBW-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-naphthalen-2-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

5
Patents

227.1171 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12438 147.7
[M+Na]+ 250.10632 153.1
[M-H]- 226.10982 153.5
[M+NH4]+ 245.15092 165.7
[M+K]+ 266.08026 150.6
[M+H-H2O]+ 210.11436 139.8
[M+HCOO]- 272.11530 175.7
[M+CH3COO]- 286.13095 205.6
[M+Na-2H]- 248.09177 154.3
[M]+ 227.11655 142.3
[M]- 227.11765 142.3
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