CID 3038295

25524-55-4

Structural Information

Molecular Formula
C18H20N4O4
SMILES
COC1=CC=C(C=C1)NC(=O)N/C=C/NC(=O)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C18H20N4O4/c1-25-15-7-3-13(4-8-15)21-17(23)19-11-12-20-18(24)22-14-5-9-16(26-2)10-6-14/h3-12H,1-2H3,(H2,19,21,23)(H2,20,22,24)/b12-11+
InChIKey
KLZFCMGHJTVGIE-VAWYXSNFSA-N
Compound name
1-(4-methoxyphenyl)-3-[(E)-2-[(4-methoxyphenyl)carbamoylamino]ethenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.14847 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.155746 182.0
[M+Na]+ 379.137688 185.2
[M-H]- 355.141194 188.4
[M+NH4]+ 374.182293 193.1
[M+K]+ 395.111628 182.7
[M+H-H2O]+ 339.145730 172.1
[M+HCOO]- 401.146671 208.5
[M+CH3COO]- 415.162321 221.7
[M+Na-2H]- 377.123136 186.1
[M]+ 356.14792142 182.3
[M]- 356.14901858 182.3
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

No patent data available for this compound.