CID 482063

1-phenethyl-3-pyrimidin-2-yl-urea

Structural Information

Molecular Formula
C13H14N4O
SMILES
C1=CC=C(C=C1)CCNC(=O)NC2=NC=CC=N2
InChI
InChI=1S/C13H14N4O/c18-13(17-12-14-8-4-9-15-12)16-10-7-11-5-2-1-3-6-11/h1-6,8-9H,7,10H2,(H2,14,15,16,17,18)
InChIKey
PCFUZOHZOLZRSA-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)-3-pyrimidin-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.11676 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.12404 153.7
[M+Na]+ 265.10598 159.1
[M-H]- 241.10948 157.3
[M+NH4]+ 260.15058 167.2
[M+K]+ 281.07992 155.3
[M+H-H2O]+ 225.11402 143.9
[M+HCOO]- 287.11496 177.3
[M+CH3COO]- 301.13061 195.0
[M+Na-2H]- 263.09143 162.4
[M]+ 242.11621 151.9
[M]- 242.11731 151.9
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.