CID 135429959

Nsc626628

Structural Information

Molecular Formula
C15H12Br2N4O3
SMILES
C1=CC(=C(C=C1Br)/C=N/NC(=O)N/N=C/C2=C(C=CC(=C2)Br)O)O
InChI
InChI=1S/C15H12Br2N4O3/c16-11-1-3-13(22)9(5-11)7-18-20-15(24)21-19-8-10-6-12(17)2-4-14(10)23/h1-8,22-23H,(H2,20,21,24)/b18-7+,19-8+
InChIKey
UXBYQJIQRYVDEN-NDILIQOGSA-N
Compound name
1,3-bis[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

453.9276 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.93488 173.0
[M+Na]+ 476.91682 179.8
[M-H]- 452.92032 181.0
[M+NH4]+ 471.96142 185.0
[M+K]+ 492.89076 162.6
[M+H-H2O]+ 436.92486 175.2
[M+HCOO]- 498.92580 191.0
[M+CH3COO]- 512.94145 231.0
[M+Na-2H]- 474.90227 177.6
[M]+ 453.92705 204.9
[M]- 453.92815 204.9
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

patents stripe