CID 135435048

N2-(4-hydroxyphenyl)guanine

Structural Information

Molecular Formula
C11H9N5O2
SMILES
C1=CC(=CC=C1NC2=NC3=C(C(=O)N2)NC=N3)O
InChI
InChI=1S/C11H9N5O2/c17-7-3-1-6(2-4-7)14-11-15-9-8(10(18)16-11)12-5-13-9/h1-5,17H,(H3,12,13,14,15,16,18)
InChIKey
UCRYOFLEQOTQFN-UHFFFAOYSA-N
Compound name
2-(4-hydroxyanilino)-1,7-dihydropurin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

243.07562 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.08290 150.5
[M+Na]+ 266.06484 161.5
[M-H]- 242.06834 150.6
[M+NH4]+ 261.10944 163.2
[M+K]+ 282.03878 154.6
[M+H-H2O]+ 226.07288 141.8
[M+HCOO]- 288.07382 169.7
[M+CH3COO]- 302.08947 161.7
[M+Na-2H]- 264.05029 158.6
[M]+ 243.07507 148.9
[M]- 243.07617 148.9
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