CID 135429886

Nsc294126

Structural Information

Molecular Formula
C15H14N4O5
SMILES
C1=CC(=C(C(=C1)O)O)/C=N/NC(=O)N/N=C/C2=C(C(=CC=C2)O)O
InChI
InChI=1S/C15H14N4O5/c20-11-5-1-3-9(13(11)22)7-16-18-15(24)19-17-8-10-4-2-6-12(21)14(10)23/h1-8,20-23H,(H2,18,19,24)/b16-7+,17-8+
InChIKey
YFXPZEDNDVXKBH-GDWCLCACSA-N
Compound name
1,3-bis[(E)-(2,3-dihydroxyphenyl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.0964 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.10368 171.3
[M+Na]+ 353.08562 176.8
[M-H]- 329.08912 176.1
[M+NH4]+ 348.13022 182.5
[M+K]+ 369.05956 173.6
[M+H-H2O]+ 313.09366 162.5
[M+HCOO]- 375.09460 196.8
[M+CH3COO]- 389.11025 213.4
[M+Na-2H]- 351.07107 175.8
[M]+ 330.09585 169.8
[M]- 330.09695 169.8
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.