CID 300460

Nsc174928

Structural Information

Molecular Formula
C16H12Cl2N4O2
SMILES
C1=CC(=CC(=C1)Cl)C2NC(=O)N3N2C(=O)NC3C4=CC(=CC=C4)Cl
InChI
InChI=1S/C16H12Cl2N4O2/c17-11-5-1-3-9(7-11)13-19-15(23)22-14(20-16(24)21(13)22)10-4-2-6-12(18)8-10/h1-8,13-14H,(H,19,23)(H,20,24)
InChIKey
JXKOXGKHXQVSCQ-UHFFFAOYSA-N
Compound name
1,5-bis(3-chlorophenyl)-1,2,5,6-tetrahydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.03372 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.04100 183.7
[M+Na]+ 385.02294 194.3
[M-H]- 361.02644 186.6
[M+NH4]+ 380.06754 195.3
[M+K]+ 400.99688 185.5
[M+H-H2O]+ 345.03098 174.3
[M+HCOO]- 407.03192 188.0
[M+CH3COO]- 421.04757 192.3
[M+Na-2H]- 383.00839 180.0
[M]+ 362.03317 182.3
[M]- 362.03427 182.3
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.