CID 3074635

160455-72-1

Structural Information

Molecular Formula
C22H22N4O4
SMILES
C1C(O1)CN2C(N3C(=O)N(C(N3C2=O)C4=CC=CC=C4)CC5CO5)C6=CC=CC=C6
InChI
InChI=1S/C22H22N4O4/c27-21-23(11-17-13-29-17)19(15-7-3-1-4-8-15)25-22(28)24(12-18-14-30-18)20(26(21)25)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2
InChIKey
JNKSXJHURXOFMG-UHFFFAOYSA-N
Compound name
2,6-bis(oxiran-2-ylmethyl)-1,5-diphenyl-1,5-dihydro-[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

406.1641 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.17138 176.1
[M+Na]+ 429.15332 191.0
[M+NH4]+ 424.19792 182.9
[M+K]+ 445.12726 191.6
[M-H]- 405.15682 194.8
[M+Na-2H]- 427.13877 186.0
[M]+ 406.16355 185.5
[M]- 406.16465 185.5
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.