CID 3580939

1-(4-acetamidophenyl)-3-(2-methoxyphenyl)urea

Structural Information

Molecular Formula
C16H17N3O3
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2OC
InChI
InChI=1S/C16H17N3O3/c1-11(20)17-12-7-9-13(10-8-12)18-16(21)19-14-5-3-4-6-15(14)22-2/h3-10H,1-2H3,(H,17,20)(H2,18,19,21)
InChIKey
NQALBQSEABVSKK-UHFFFAOYSA-N
Compound name
N-[4-[(2-methoxyphenyl)carbamoylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

299.12698 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13426 168.6
[M+Na]+ 322.11620 173.5
[M-H]- 298.11970 175.4
[M+NH4]+ 317.16080 182.5
[M+K]+ 338.09014 170.9
[M+H-H2O]+ 282.12424 159.8
[M+HCOO]- 344.12518 194.4
[M+CH3COO]- 358.14083 210.0
[M+Na-2H]- 320.10165 173.0
[M]+ 299.12643 168.4
[M]- 299.12753 168.4
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