CID 106015

67893-49-6

Structural Information

Molecular Formula
C16H13N3O6S2
SMILES
C1=CC(=CC=C1N)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C16H13N3O6S2/c17-11-2-5-12(6-3-11)18-19-13-4-1-10-7-14(26(20,21)22)9-16(15(10)8-13)27(23,24)25/h1-9H,17H2,(H,20,21,22)(H,23,24,25)
InChIKey
QSKBOKGWPXTVNO-UHFFFAOYSA-N
Compound name
7-[(4-aminophenyl)diazenyl]naphthalene-1,3-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.02457 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.03185 187.7
[M+Na]+ 430.01379 195.3
[M-H]- 406.01729 193.9
[M+NH4]+ 425.05839 198.0
[M+K]+ 445.98773 189.7
[M+H-H2O]+ 390.02183 179.7
[M+HCOO]- 452.02277 201.1
[M+CH3COO]- 466.03842 223.1
[M+Na-2H]- 427.99924 196.2
[M]+ 407.02402 191.2
[M]- 407.02512 191.2
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