CID 86985

17192-80-2

Structural Information

Molecular Formula
C15H15N2O2S
SMILES
CC1=CC=C(C=C1)SC2=C(C=C(C(=C2)OC)[N+]#N)OC
InChI
InChI=1S/C15H15N2O2S/c1-10-4-6-11(7-5-10)20-15-9-13(18-2)12(17-16)8-14(15)19-3/h4-9H,1-3H3/q+1
InChIKey
CVTWUUJGZIZUTR-UHFFFAOYSA-N
Compound name
2,5-dimethoxy-4-(4-methylphenyl)sulfanylbenzenediazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

57
Patents

287.08542 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.09270 170.8
[M+Na]+ 310.07464 182.0
[M-H]- 286.07814 178.8
[M+NH4]+ 305.11924 185.9
[M+K]+ 326.04858 172.9
[M+H-H2O]+ 270.08268 159.2
[M+HCOO]- 332.08362 188.3
[M+CH3COO]- 346.09927 209.7
[M+Na-2H]- 308.06009 174.7
[M]+ 287.08487 170.5
[M]- 287.08597 170.5
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

patents stripe