CID 106256

67969-79-3

Structural Information

Molecular Formula
C16H14N4O7S2
SMILES
C1=CC(=C(C=C1N)N)N=NC2=CC3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)O
InChI
InChI=1S/C16H14N4O7S2/c17-9-1-2-13(12(18)5-9)19-20-14-7-11-8(4-16(14)29(25,26)27)3-10(6-15(11)21)28(22,23)24/h1-7,21H,17-18H2,(H,22,23,24)(H,25,26,27)
InChIKey
HZRDWWGSMCSEQL-UHFFFAOYSA-N
Compound name
3-[(2,4-diaminophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.0304 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.03768 192.2
[M+Na]+ 461.01962 199.0
[M-H]- 437.02312 196.6
[M+NH4]+ 456.06422 200.0
[M+K]+ 476.99356 193.5
[M+H-H2O]+ 421.02766 184.1
[M+HCOO]- 483.02860 204.2
[M+CH3COO]- 497.04425 231.7
[M+Na-2H]- 459.00507 200.0
[M]+ 438.02985 194.3
[M]- 438.03095 194.3
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.