CID 300466

Nsc174934

Structural Information

Molecular Formula
C18H18N4O4
SMILES
COC1=CC=CC(=C1)C2NC(=O)N3N2C(=O)NC3C4=CC(=CC=C4)OC
InChI
InChI=1S/C18H18N4O4/c1-25-13-7-3-5-11(9-13)15-19-17(23)22-16(20-18(24)21(15)22)12-6-4-8-14(10-12)26-2/h3-10,15-16H,1-2H3,(H,19,23)(H,20,24)
InChIKey
DPDPGHYGYVIKDZ-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-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1328 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14008 183.3
[M+Na]+ 377.12202 191.7
[M-H]- 353.12552 187.3
[M+NH4]+ 372.16662 193.8
[M+K]+ 393.09596 185.9
[M+H-H2O]+ 337.13006 173.8
[M+HCOO]- 399.13100 197.3
[M+CH3COO]- 413.14665 192.3
[M+Na-2H]- 375.10747 180.6
[M]+ 354.13225 182.4
[M]- 354.13335 182.4
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

No patent data available for this compound.