CID 22648

N,n'-bis(2-methoxyphenyl)guanidine

Structural Information

Molecular Formula
C15H17N3O2
SMILES
COC1=CC=CC=C1NC(=NC2=CC=CC=C2OC)N
InChI
InChI=1S/C15H17N3O2/c1-19-13-9-5-3-7-11(13)17-15(16)18-12-8-4-6-10-14(12)20-2/h3-10H,1-2H3,(H3,16,17,18)
InChIKey
SUWFNJNGGZUBSG-UHFFFAOYSA-N
Compound name
1,2-bis(2-methoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

62
Patents

271.13208 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.139356 161.8
[M+Na]+ 294.121298 167.7
[M-H]- 270.124804 169.5
[M+NH4]+ 289.165903 177.5
[M+K]+ 310.095238 165.2
[M+H-H2O]+ 254.129340 153.0
[M+HCOO]- 316.130281 189.4
[M+CH3COO]- 330.145931 207.1
[M+Na-2H]- 292.106746 167.3
[M]+ 271.13153142 162.1
[M]- 271.13262858 162.1
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