CID 407800

Nsc9600

Structural Information

Molecular Formula
C16H14N2O7S2
SMILES
C1=CC=C2C(=C1)C=CC(=C2N(NC3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)O
InChI
InChI=1S/C16H14N2O7S2/c19-15-10-5-11-3-1-2-4-14(11)16(15)18(27(23,24)25)17-12-6-8-13(9-7-12)26(20,21)22/h1-10,17,19H,(H,20,21,22)(H,23,24,25)
InChIKey
JTXLXNWLXPNUMK-UHFFFAOYSA-N
Compound name
4-[2-(2-hydroxynaphthalen-1-yl)-2-sulfohydrazinyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

410.02423 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.03151 185.0
[M+Na]+ 433.01345 190.8
[M-H]- 409.01695 188.9
[M+NH4]+ 428.05805 194.0
[M+K]+ 448.98739 186.0
[M+H-H2O]+ 393.02149 177.9
[M+HCOO]- 455.02243 194.5
[M+CH3COO]- 469.03808 217.4
[M+Na-2H]- 430.99890 193.6
[M]+ 410.02368 188.1
[M]- 410.02478 188.1
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