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]+ 312.170676 175.6
[M+Na]+ 334.152618 180.8
[M-H]- 310.156124 183.9
[M+NH4]+ 329.197223 190.1
[M+K]+ 350.126558 178.7
[M+H-H2O]+ 294.160660 166.8
[M+HCOO]- 356.161601 201.0
[M+CH3COO]- 370.177251 218.3
[M+Na-2H]- 332.138066 177.3
[M]+ 311.16285142 176.3
[M]- 311.16394858 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