CID 99387

Semicarbazide, 1-(p-chlorobenzoyl)-4,4-dimethyl-

Structural Information

Molecular Formula
C10H12ClN3O2
SMILES
CN(C)C(=O)NNC(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H12ClN3O2/c1-14(2)10(16)13-12-9(15)7-3-5-8(11)6-4-7/h3-6H,1-2H3,(H,12,15)(H,13,16)
InChIKey
MONKNOAQWHHQSG-UHFFFAOYSA-N
Compound name
3-[(4-chlorobenzoyl)amino]-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.0618 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.069076 153.1
[M+Na]+ 264.051018 159.6
[M-H]- 240.054524 158.4
[M+NH4]+ 259.095623 171.4
[M+K]+ 280.024958 157.7
[M+H-H2O]+ 224.059060 147.1
[M+HCOO]- 286.060001 175.4
[M+CH3COO]- 300.075651 199.0
[M+Na-2H]- 262.036466 157.1
[M]+ 241.06125142 154.8
[M]- 241.06234858 154.8
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.