CID 463093

1-(4-methoxyphenyl)-5-[[1-(4-methoxyphenyl)tetrazol-5-yl]disulfanyl]tetrazole

Structural Information

Molecular Formula
C16H14N8O2S2
SMILES
COC1=CC=C(C=C1)N2C(=NN=N2)SSC3=NN=NN3C4=CC=C(C=C4)OC
InChI
InChI=1S/C16H14N8O2S2/c1-25-13-7-3-11(4-8-13)23-15(17-19-21-23)27-28-16-18-20-22-24(16)12-5-9-14(26-2)10-6-12/h3-10H,1-2H3
InChIKey
LMBYZXIGYUICON-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-5-[[1-(4-methoxyphenyl)tetrazol-5-yl]disulfanyl]tetrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.0681 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.07538 186.5
[M+Na]+ 437.05732 201.3
[M-H]- 413.06082 192.3
[M+NH4]+ 432.10192 191.8
[M+K]+ 453.03126 193.4
[M+H-H2O]+ 397.06536 177.9
[M+HCOO]- 459.06630 196.7
[M+CH3COO]- 473.08195 196.3
[M+Na-2H]- 435.04277 184.9
[M]+ 414.06755 195.1
[M]- 414.06865 195.1
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.