CID 3038294

Urea, 1,1'-vinylenebis(3-(p-tolyl)-, (e)-

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]+ 325.165906 177.4
[M+Na]+ 347.147848 181.1
[M-H]- 323.151354 183.9
[M+NH4]+ 342.192453 190.1
[M+K]+ 363.121788 177.1
[M+H-H2O]+ 307.155890 168.2
[M+HCOO]- 369.156831 203.5
[M+CH3COO]- 383.172481 217.1
[M+Na-2H]- 345.133296 181.2
[M]+ 324.15808142 174.9
[M]- 324.15917858 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.