CID 162345153

Ns00132966

Structural Information

Molecular Formula
C15H17N3O
SMILES
CC1=C(C=C(C=C1)O)NC(=NC2=CC=CC=C2C)N
InChI
InChI=1S/C15H17N3O/c1-10-5-3-4-6-13(10)17-15(16)18-14-9-12(19)8-7-11(14)2/h3-9,19H,1-2H3,(H3,16,17,18)
InChIKey
GGKNRKACUGXKAO-UHFFFAOYSA-N
Compound name
1-(5-hydroxy-2-methylphenyl)-2-(2-methylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.13716 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.144436 159.5
[M+Na]+ 278.126378 166.1
[M-H]- 254.129884 166.3
[M+NH4]+ 273.170983 175.6
[M+K]+ 294.100318 162.1
[M+H-H2O]+ 238.134420 151.5
[M+HCOO]- 300.135361 185.4
[M+CH3COO]- 314.151011 203.8
[M+Na-2H]- 276.111826 163.7
[M]+ 255.13661142 157.0
[M]- 255.13770858 157.0
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.