CID 9561580

Anisaldehyde 4-sulfophenyl-hydrazone (na)

Structural Information

Molecular Formula
C14H14N2O4S
SMILES
COC1=CC=C(C=C1)/C=N/NC2=CC=C(C=C2)S(=O)(=O)O
InChI
InChI=1S/C14H14N2O4S/c1-20-13-6-2-11(3-7-13)10-15-16-12-4-8-14(9-5-12)21(17,18)19/h2-10,16H,1H3,(H,17,18,19)/b15-10+
InChIKey
QJFPXIKJFHTUHK-XNTDXEJSSA-N
Compound name
4-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.0674 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07468 166.4
[M+Na]+ 329.05662 173.9
[M-H]- 305.06012 173.4
[M+NH4]+ 324.10122 180.9
[M+K]+ 345.03056 169.7
[M+H-H2O]+ 289.06466 158.4
[M+HCOO]- 351.06560 187.3
[M+CH3COO]- 365.08125 203.8
[M+Na-2H]- 327.04207 172.3
[M]+ 306.06685 169.8
[M]- 306.06795 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.