CID 482070

1-(6-chloropyrazin-2-yl)-3-phenethyl-urea

Structural Information

Molecular Formula
C13H13ClN4O
SMILES
C1=CC=C(C=C1)CCNC(=O)NC2=CN=CC(=N2)Cl
InChI
InChI=1S/C13H13ClN4O/c14-11-8-15-9-12(17-11)18-13(19)16-7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,16,17,18,19)
InChIKey
OTPPFYFWXCEILJ-UHFFFAOYSA-N
Compound name
1-(6-chloropyrazin-2-yl)-3-(2-phenylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0778 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08508 160.6
[M+Na]+ 299.06702 167.6
[M-H]- 275.07052 164.2
[M+NH4]+ 294.11162 173.9
[M+K]+ 315.04096 162.1
[M+H-H2O]+ 259.07506 151.5
[M+HCOO]- 321.07600 179.5
[M+CH3COO]- 335.09165 199.8
[M+Na-2H]- 297.05247 167.9
[M]+ 276.07725 161.4
[M]- 276.07835 161.4
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.