CID 4377004

1-cyclopropyl-3-(4-methoxyphenyl)urea

Structural Information

Molecular Formula
C11H14N2O2
SMILES
COC1=CC=C(C=C1)NC(=O)NC2CC2
InChI
InChI=1S/C11H14N2O2/c1-15-10-6-4-9(5-7-10)13-11(14)12-8-2-3-8/h4-8H,2-3H2,1H3,(H2,12,13,14)
InChIKey
NVILTXLVQCDGEY-UHFFFAOYSA-N
Compound name
1-cyclopropyl-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

206.10553 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 141.5
[M+Na]+ 229.09475 149.3
[M-H]- 205.09825 149.2
[M+NH4]+ 224.13935 155.2
[M+K]+ 245.06869 146.4
[M+H-H2O]+ 189.10279 134.5
[M+HCOO]- 251.10373 167.6
[M+CH3COO]- 265.11938 192.5
[M+Na-2H]- 227.08020 148.1
[M]+ 206.10498 143.7
[M]- 206.10608 143.7
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