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]+ 220.108046 149.7
[M+Na]+ 242.089988 154.3
[M-H]- 218.093494 154.0
[M+NH4]+ 237.134593 167.2
[M+K]+ 258.063928 153.2
[M+H-H2O]+ 202.098030 142.2
[M+HCOO]- 264.098971 175.6
[M+CH3COO]- 278.114621 196.3
[M+Na-2H]- 240.075436 153.4
[M]+ 219.10022142 147.5
[M]- 219.10131858 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.