CID 3038294

Brn 2897929

Structural Information

Molecular Formula
C18H20N4O2
SMILES
CC1=CC=C(C=C1)NC(=O)N/C=C/NC(=O)NC2=CC=C(C=C2)C
InChI
InChI=1S/C18H20N4O2/c1-13-3-7-15(8-4-13)21-17(23)19-11-12-20-18(24)22-16-9-5-14(2)6-10-16/h3-12H,1-2H3,(H2,19,21,23)(H2,20,22,24)/b12-11+
InChIKey
UBMZNZSLEQNUQS-VAWYXSNFSA-N
Compound name
1-(4-methylphenyl)-3-[(E)-2-[(4-methylphenyl)carbamoylamino]ethenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.15863 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.16591 177.4
[M+Na]+ 347.14785 181.1
[M-H]- 323.15135 183.9
[M+NH4]+ 342.19245 190.1
[M+K]+ 363.12179 177.1
[M+H-H2O]+ 307.15589 168.2
[M+HCOO]- 369.15683 203.5
[M+CH3COO]- 383.17248 217.1
[M+Na-2H]- 345.13330 181.2
[M]+ 324.15808 174.9
[M]- 324.15918 174.9
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.