CID 3003869

Nsc174935

Structural Information

Molecular Formula
C18H18N4O2S2
SMILES
COC1=CC=CC(=C1)C2NC(=S)N3N2C(=S)NC3C4=CC(=CC=C4)OC
InChI
InChI=1S/C18H18N4O2S2/c1-23-13-7-3-5-11(9-13)15-19-17(25)22-16(20-18(26)21(15)22)12-6-4-8-14(10-12)24-2/h3-10,15-16H,1-2H3,(H,19,25)(H,20,26)
InChIKey
APZIPCVXHHIXIW-UHFFFAOYSA-N
Compound name
1,5-bis(3-methoxyphenyl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.08713 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.09441 188.2
[M+Na]+ 409.07635 198.8
[M-H]- 385.07985 192.1
[M+NH4]+ 404.12095 199.6
[M+K]+ 425.05029 190.6
[M+H-H2O]+ 369.08439 182.3
[M+HCOO]- 431.08533 193.1
[M+CH3COO]- 445.10098 196.8
[M+Na-2H]- 407.06180 182.2
[M]+ 386.08658 189.1
[M]- 386.08768 189.1
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.