CID 112940

62758-14-9

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

385.10962 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.11690 187.5
[M+Na]+ 408.09884 199.7
[M+NH4]+ 403.14344 194.4
[M+K]+ 424.07278 191.6
[M-H]- 384.10234 193.0
[M+Na-2H]- 406.08429 195.9
[M]+ 385.10907 191.2
[M]- 385.11017 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