CID 3059235

76266-98-3

Structural Information

Molecular Formula
C10H14ClN3O2
SMILES
CC1(CC=CC=C1N(C(=O)N)C(=O)NC)Cl
InChI
InChI=1S/C10H14ClN3O2/c1-10(11)6-4-3-5-7(10)14(8(12)15)9(16)13-2/h3-5H,6H2,1-2H3,(H2,12,15)(H,13,16)
InChIKey
APZVYOVFNQRWNI-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-(6-chloro-6-methylcyclohexa-1,3-dien-1-yl)-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

243.07745 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.08473 152.8
[M+Na]+ 266.06667 159.2
[M-H]- 242.07017 157.5
[M+NH4]+ 261.11127 172.6
[M+K]+ 282.04061 157.5
[M+H-H2O]+ 226.07471 148.1
[M+HCOO]- 288.07565 173.0
[M+CH3COO]- 302.09130 199.0
[M+Na-2H]- 264.05212 156.2
[M]+ 243.07690 152.5
[M]- 243.07800 152.5
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

patents stripe