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

22
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 187.6
[M+Na]+ 408.09884 195.2
[M-H]- 384.10234 198.0
[M+NH4]+ 403.14344 201.0
[M+K]+ 424.07278 192.4
[M+H-H2O]+ 368.10688 178.2
[M+HCOO]- 430.10782 209.3
[M+CH3COO]- 444.12347 229.8
[M+Na-2H]- 406.08429 193.9
[M]+ 385.10907 194.7
[M]- 385.11017 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