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

2
Patents

206.10553 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.112806 141.5
[M+Na]+ 229.094748 149.3
[M-H]- 205.098254 149.2
[M+NH4]+ 224.139353 155.2
[M+K]+ 245.068688 146.4
[M+H-H2O]+ 189.102790 134.5
[M+HCOO]- 251.103731 167.6
[M+CH3COO]- 265.119381 192.5
[M+Na-2H]- 227.080196 148.1
[M]+ 206.10498142 143.7
[M]- 206.10607858 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