CID 174932

Benzenediazonium, 5-methoxy-4-methyl-2-((2-(methylsulfonyl)-4-nitrophenyl)azo)-, sulfate (1:1)

Structural Information

Molecular Formula
C15H14N5O5S
SMILES
CC1=CC(=C(C=C1OC)[N+]#N)N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C
InChI
InChI=1S/C15H14N5O5S/c1-9-6-13(12(17-16)8-14(9)25-2)19-18-11-5-4-10(20(21)22)7-15(11)26(3,23)24/h4-8H,1-3H3/q+1
InChIKey
DUZHKLJUWYDBJR-UHFFFAOYSA-N
Compound name
5-methoxy-4-methyl-2-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]benzenediazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

376.07156 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.07884 197.9
[M+Na]+ 399.06078 205.7
[M-H]- 375.06428 207.0
[M+NH4]+ 394.10538 207.9
[M+K]+ 415.03472 195.0
[M+H-H2O]+ 359.06882 188.0
[M+HCOO]- 421.06976 217.9
[M+CH3COO]- 435.08541 224.2
[M+Na-2H]- 397.04623 204.8
[M]+ 376.07101 195.4
[M]- 376.07211 195.4
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.