CID 135463960

Brn 5981593

Structural Information

Molecular Formula
C12H15N3O4
SMILES
CCOC1=C(C=C(C=C1OC)C2=NNC(=O)N2)OC
InChI
InChI=1S/C12H15N3O4/c1-4-19-10-8(17-2)5-7(6-9(10)18-3)11-13-12(16)15-14-11/h5-6H,4H2,1-3H3,(H2,13,14,15,16)
InChIKey
OXFSRFXBMWZEBK-UHFFFAOYSA-N
Compound name
3-(4-ethoxy-3,5-dimethoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.10626 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.113536 157.6
[M+Na]+ 288.095478 167.6
[M-H]- 264.098984 158.8
[M+NH4]+ 283.140083 171.0
[M+K]+ 304.069418 163.8
[M+H-H2O]+ 248.103520 149.2
[M+HCOO]- 310.104461 177.4
[M+CH3COO]- 324.120111 191.5
[M+Na-2H]- 286.080926 160.3
[M]+ 265.10571142 161.1
[M]- 265.10680858 161.1
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.