CID 9575471

[(e)-[4-(2-methoxyphenoxy)-3-nitro-phenyl]methyleneamino]urea

Structural Information

Molecular Formula
C15H14N4O5
SMILES
COC1=CC=CC=C1OC2=C(C=C(C=C2)/C=N/NC(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C15H14N4O5/c1-23-13-4-2-3-5-14(13)24-12-7-6-10(8-11(12)19(21)22)9-17-18-15(16)20/h2-9H,1H3,(H3,16,18,20)/b17-9+
InChIKey
GZQMSGNCMYCRKL-RQZCQDPDSA-N
Compound name
[(E)-[4-(2-methoxyphenoxy)-3-nitrophenyl]methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.0964 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.10368 170.6
[M+Na]+ 353.08562 175.2
[M-H]- 329.08912 178.2
[M+NH4]+ 348.13022 182.5
[M+K]+ 369.05956 169.3
[M+H-H2O]+ 313.09366 165.5
[M+HCOO]- 375.09460 199.2
[M+CH3COO]- 389.11025 210.7
[M+Na-2H]- 351.07107 177.1
[M]+ 330.09585 170.4
[M]- 330.09695 170.4
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.