CID 256659

4-(2,3-dihydro-1h-perimidin-2-yl)-phenol

Structural Information

Molecular Formula
C17H14N2O
SMILES
C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CC=C(C=C4)O
InChI
InChI=1S/C17H14N2O/c20-13-9-7-12(8-10-13)17-18-14-5-1-3-11-4-2-6-15(19-17)16(11)14/h1-10,17-20H
InChIKey
FADYQKSIESMOII-UHFFFAOYSA-N
Compound name
4-(2,3-dihydro-1H-perimidin-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

10
Patents

262.11063 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.117906 160.0
[M+Na]+ 285.099848 167.4
[M-H]- 261.103354 160.8
[M+NH4]+ 280.144453 173.8
[M+K]+ 301.073788 159.4
[M+H-H2O]+ 245.107890 151.1
[M+HCOO]- 307.108831 173.0
[M+CH3COO]- 321.124481 169.4
[M+Na-2H]- 283.085296 167.7
[M]+ 262.11008142 154.7
[M]- 262.11117858 154.7
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