CID 10828

Acoin

Structural Information

Molecular Formula
C23H25N3O3
SMILES
CCOC1=CC=C(C=C1)N=C(NC2=CC=C(C=C2)OC)NC3=CC=C(C=C3)OC
InChI
InChI=1S/C23H25N3O3/c1-4-29-22-15-9-19(10-16-22)26-23(24-17-5-11-20(27-2)12-6-17)25-18-7-13-21(28-3)14-8-18/h5-16H,4H2,1-3H3,(H2,24,25,26)
InChIKey
VKLAGALIHQDMTQ-UHFFFAOYSA-N
Compound name
2-(4-ethoxyphenyl)-1,3-bis(4-methoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

338
Patents

391.1896 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.19688 194.8
[M+Na]+ 414.17882 199.0
[M-H]- 390.18232 205.4
[M+NH4]+ 409.22342 205.3
[M+K]+ 430.15276 195.4
[M+H-H2O]+ 374.18686 183.5
[M+HCOO]- 436.18780 221.6
[M+CH3COO]- 450.20345 230.2
[M+Na-2H]- 412.16427 199.1
[M]+ 391.18905 197.8
[M]- 391.19015 197.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.