CID 3059261

76267-25-9

Structural Information

Molecular Formula
C11H13N3O2
SMILES
C=CCNC(=O)N(C1=CC=CC=C1)C(=O)N
InChI
InChI=1S/C11H13N3O2/c1-2-8-13-11(16)14(10(12)15)9-6-4-3-5-7-9/h2-7H,1,8H2,(H2,12,15)(H,13,16)
InChIKey
ZRPJGHAUBFODFQ-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-phenyl-3-prop-2-enylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 149.7
[M+Na]+ 242.08999 154.3
[M-H]- 218.09349 154.0
[M+NH4]+ 237.13459 167.2
[M+K]+ 258.06393 153.2
[M+H-H2O]+ 202.09803 142.2
[M+HCOO]- 264.09897 175.6
[M+CH3COO]- 278.11462 196.3
[M+Na-2H]- 240.07544 153.4
[M]+ 219.10022 147.5
[M]- 219.10132 147.5
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

No patent data available for this compound.