CID 3038295

Brn 2909553

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]+ 357.15575 182.0
[M+Na]+ 379.13769 185.2
[M-H]- 355.14119 188.4
[M+NH4]+ 374.18229 193.1
[M+K]+ 395.11163 182.7
[M+H-H2O]+ 339.14573 172.1
[M+HCOO]- 401.14667 208.5
[M+CH3COO]- 415.16232 221.7
[M+Na-2H]- 377.12314 186.1
[M]+ 356.14792 182.3
[M]- 356.14902 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.