CID 11037

Benzenesulfonic acid, 4-(2-(4-(dimethylamino)phenyl)diazenyl)-

Structural Information

Molecular Formula
C14H15N3O3S
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O
InChI
InChI=1S/C14H15N3O3S/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20/h3-10H,1-2H3,(H,18,19,20)
InChIKey
IETWCRRCPURZOC-UHFFFAOYSA-N
Compound name
4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1007
References

57185
Patents

305.0834 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.09068 167.2
[M+Na]+ 328.07262 174.5
[M-H]- 304.07612 177.0
[M+NH4]+ 323.11722 182.8
[M+K]+ 344.04656 172.0
[M+H-H2O]+ 288.08066 158.5
[M+HCOO]- 350.08160 190.8
[M+CH3COO]- 364.09725 212.4
[M+Na-2H]- 326.05807 173.2
[M]+ 305.08285 171.6
[M]- 305.08395 171.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe