CID 104220

52510-63-1

Structural Information

Molecular Formula
C17H19N2O2S
SMILES
CCOC1=CC(=C(C=C1[N+]#N)OCC)SC2=CC=C(C=C2)C
InChI
InChI=1S/C17H19N2O2S/c1-4-20-15-11-17(16(21-5-2)10-14(15)19-18)22-13-8-6-12(3)7-9-13/h6-11H,4-5H2,1-3H3/q+1
InChIKey
LEVPVSDWYICRIN-UHFFFAOYSA-N
Compound name
2,5-diethoxy-4-(4-methylphenyl)sulfanylbenzenediazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

189
Patents

315.11673 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.12401 165.2
[M+Na]+ 338.10595 180.4
[M+NH4]+ 333.15055 171.4
[M+K]+ 354.07989 168.4
[M-H]- 314.10945 164.9
[M+Na-2H]- 336.09140 172.0
[M]+ 315.11618 167.4
[M]- 315.11728 167.4
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