CID 162345051

Ns00132950

Structural Information

Molecular Formula
C13H13N3O
SMILES
C1=CC=C(C=C1)N=C(N)NC2=CC(=CC=C2)O
InChI
InChI=1S/C13H13N3O/c14-13(15-10-5-2-1-3-6-10)16-11-7-4-8-12(17)9-11/h1-9,17H,(H3,14,15,16)
InChIKey
BTLOXZATYCFNDZ-UHFFFAOYSA-N
Compound name
1-(3-hydroxyphenyl)-2-phenylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.10587 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.113146 149.2
[M+Na]+ 250.095088 154.7
[M-H]- 226.098594 155.5
[M+NH4]+ 245.139693 165.8
[M+K]+ 266.069028 151.1
[M+H-H2O]+ 210.103130 141.2
[M+HCOO]- 272.104071 175.8
[M+CH3COO]- 286.119721 195.3
[M+Na-2H]- 248.080536 156.1
[M]+ 227.10532142 145.2
[M]- 227.10641858 145.2
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.