CID 200736

2617-89-2

Structural Information

Molecular Formula
C10H12ClN3O2
SMILES
CC1=C(C=CC(=C1)Cl)N(C(=O)N)C(=O)NC
InChI
InChI=1S/C10H12ClN3O2/c1-6-5-7(11)3-4-8(6)14(9(12)15)10(16)13-2/h3-5H,1-2H3,(H2,12,15)(H,13,16)
InChIKey
YBCIBBFGQVEGAQ-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-(4-chloro-2-methylphenyl)-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.0618 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06908 153.2
[M+Na]+ 264.05102 160.6
[M-H]- 240.05452 158.3
[M+NH4]+ 259.09562 171.4
[M+K]+ 280.02496 158.4
[M+H-H2O]+ 224.05906 147.4
[M+HCOO]- 286.06000 174.8
[M+CH3COO]- 300.07565 200.4
[M+Na-2H]- 262.03647 155.4
[M]+ 241.06125 154.4
[M]- 241.06235 154.4
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.