CID 135685124

3-bromo-4-hydroxy-5-methoxybenzaldehyde (4-nitrophenyl)hydrazone

Structural Information

Molecular Formula
C14H12BrN3O4
SMILES
COC1=C(C(=CC(=C1)/C=N/NC2=CC=C(C=C2)[N+](=O)[O-])Br)O
InChI
InChI=1S/C14H12BrN3O4/c1-22-13-7-9(6-12(15)14(13)19)8-16-17-10-2-4-11(5-3-10)18(20)21/h2-8,17,19H,1H3/b16-8+
InChIKey
CCYPVLNXMHQBLV-LZYBPNLTSA-N
Compound name
2-bromo-6-methoxy-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.00113 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.00841 171.7
[M+Na]+ 387.99035 180.5
[M-H]- 363.99385 180.8
[M+NH4]+ 383.03495 186.3
[M+K]+ 403.96429 164.9
[M+H-H2O]+ 347.99839 172.2
[M+HCOO]- 409.99933 196.2
[M+CH3COO]- 424.01498 209.1
[M+Na-2H]- 385.97580 179.3
[M]+ 365.00058 190.3
[M]- 365.00168 190.3
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.