CID 2724085

74347-15-2

Structural Information

Molecular Formula
C19H19N3O4S
SMILES
CN(C)C1=CC=C(C2=CC=CC=C21)N=NC3=C(C=C(C=C3)S(=O)(=O)O)OC
InChI
InChI=1S/C19H19N3O4S/c1-22(2)18-11-10-16(14-6-4-5-7-15(14)18)20-21-17-9-8-13(27(23,24)25)12-19(17)26-3/h4-12H,1-3H3,(H,23,24,25)
InChIKey
IUCBYZZXKZMQDN-UHFFFAOYSA-N
Compound name
4-[[4-(dimethylamino)naphthalen-1-yl]diazenyl]-3-methoxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

385.10962 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.116896 187.6
[M+Na]+ 408.098838 195.2
[M-H]- 384.102344 198.0
[M+NH4]+ 403.143443 201.0
[M+K]+ 424.072778 192.4
[M+H-H2O]+ 368.106880 178.2
[M+HCOO]- 430.107821 209.3
[M+CH3COO]- 444.123471 229.8
[M+Na-2H]- 406.084286 193.9
[M]+ 385.10907142 194.7
[M]- 385.11016858 194.7
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