CID 105938

67875-22-3

Structural Information

Molecular Formula
C15H15N4O5S
SMILES
CC1=CC(=C(C=C1N=NC2=C(C=CC(=C2)S(=O)(=O)O)OC)OC)[N+]#N
InChI
InChI=1S/C15H14N4O5S/c1-9-6-12(17-16)15(24-3)8-11(9)18-19-13-7-10(25(20,21)22)4-5-14(13)23-2/h4-8H,1-3H3/p+1
InChIKey
NRZKZXDTUKXMCS-UHFFFAOYSA-O
Compound name
2-methoxy-4-[(2-methoxy-5-sulfophenyl)diazenyl]-5-methylbenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.07632 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.08360 190.7
[M+Na]+ 386.06554 200.5
[M-H]- 362.06904 199.5
[M+NH4]+ 381.11014 202.2
[M+K]+ 402.03948 193.5
[M+H-H2O]+ 346.07358 177.6
[M+HCOO]- 408.07452 210.0
[M+CH3COO]- 422.09017 225.0
[M+Na-2H]- 384.05099 196.3
[M]+ 363.07577 191.5
[M]- 363.07687 191.5
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

No patent data available for this compound.