CID 4409218

1-benzyl-1-methyl-3-(4-methyl-2-nitrophenyl)urea

Structural Information

Molecular Formula
C16H17N3O3
SMILES
CC1=CC(=C(C=C1)NC(=O)N(C)CC2=CC=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H17N3O3/c1-12-8-9-14(15(10-12)19(21)22)17-16(20)18(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,17,20)
InChIKey
SVHXAHGKTUADFP-UHFFFAOYSA-N
Compound name
1-benzyl-1-methyl-3-(4-methyl-2-nitrophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.12698 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13426 168.3
[M+Na]+ 322.11620 180.9
[M+NH4]+ 317.16080 175.6
[M+K]+ 338.09014 177.1
[M-H]- 298.11970 174.7
[M+Na-2H]- 320.10165 176.5
[M]+ 299.12643 171.7
[M]- 299.12753 171.7
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

No patent data available for this compound.