CID 306363

1-(4-(n-methylacetamido)phenyl)-3-(2,6-xylyl)urea

Structural Information

Molecular Formula
C18H21N3O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=C(C=C2)N(C)C(=O)C
InChI
InChI=1S/C18H21N3O2/c1-12-6-5-7-13(2)17(12)20-18(23)19-15-8-10-16(11-9-15)21(4)14(3)22/h5-11H,1-4H3,(H2,19,20,23)
InChIKey
YVXAXGNZHDNCIX-UHFFFAOYSA-N
Compound name
N-[4-[(2,6-dimethylphenyl)carbamoylamino]phenyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

311.1634 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17068 175.6
[M+Na]+ 334.15262 180.8
[M-H]- 310.15612 183.9
[M+NH4]+ 329.19722 190.1
[M+K]+ 350.12656 178.7
[M+H-H2O]+ 294.16066 166.8
[M+HCOO]- 356.16160 201.0
[M+CH3COO]- 370.17725 218.3
[M+Na-2H]- 332.13807 177.3
[M]+ 311.16285 176.3
[M]- 311.16395 176.3
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