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

47
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 157.2
[M+Na]+ 310.07464 172.7
[M+NH4]+ 305.11924 163.7
[M+K]+ 326.04858 161.2
[M-H]- 286.07814 156.9
[M+Na-2H]- 308.06009 164.4
[M]+ 287.08487 159.4
[M]- 287.08597 159.4
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

patents stripe