CID 413200

Archil red

Structural Information

Molecular Formula
C16H12N4O5S
SMILES
C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)O
InChI
InChI=1S/C16H12N4O5S/c17-16-13-4-2-1-3-12(13)15(26(23,24)25)9-14(16)19-18-10-5-7-11(8-6-10)20(21)22/h1-9H,17H2,(H,23,24,25)
InChIKey
RFWOTQCDQPWBGD-UHFFFAOYSA-N
Compound name
4-amino-3-[(4-nitrophenyl)diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

372.05283 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.06011 176.5
[M+Na]+ 395.04205 182.6
[M-H]- 371.04555 184.9
[M+NH4]+ 390.08665 187.9
[M+K]+ 411.01599 174.3
[M+H-H2O]+ 355.05009 171.8
[M+HCOO]- 417.05103 198.4
[M+CH3COO]- 431.06668 215.8
[M+Na-2H]- 393.02750 186.5
[M]+ 372.05228 176.8
[M]- 372.05338 176.8
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

patents stripe