CID 2815594

Mls000858789

Structural Information

Molecular Formula
C15H17N3O2
SMILES
CC1=CC(=CC(=C1)NC(=O)NC2=CN=C(C=C2)OC)C
InChI
InChI=1S/C15H17N3O2/c1-10-6-11(2)8-13(7-10)18-15(19)17-12-4-5-14(20-3)16-9-12/h4-9H,1-3H3,(H2,17,18,19)
InChIKey
BNQVUQSZXQSEBE-UHFFFAOYSA-N
Compound name
1-(3,5-dimethylphenyl)-3-(6-methoxy-3-pyridinyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

271.13208 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.139356 163.0
[M+Na]+ 294.121298 170.2
[M-H]- 270.124804 168.9
[M+NH4]+ 289.165903 177.6
[M+K]+ 310.095238 166.9
[M+H-H2O]+ 254.129340 154.1
[M+HCOO]- 316.130281 187.4
[M+CH3COO]- 330.145931 203.9
[M+Na-2H]- 292.106746 168.0
[M]+ 271.13153142 164.0
[M]- 271.13262858 164.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.