CID 53992628

194486-03-8

Structural Information

Molecular Formula
C19H18N4O4
SMILES
CCOC(=O)C1=NOC(=C1C(=O)C2=CC=CC=C2CN3C=NC=N3)C4CC4
InChI
InChI=1S/C19H18N4O4/c1-2-26-19(25)16-15(18(27-22-16)12-7-8-12)17(24)14-6-4-3-5-13(14)9-23-11-20-10-21-23/h3-6,10-12H,2,7-9H2,1H3
InChIKey
KFXKWHPREJATSC-UHFFFAOYSA-N
Compound name
ethyl 5-cyclopropyl-4-[2-(1,2,4-triazol-1-ylmethyl)benzoyl]-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

366.1328 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.140076 189.0
[M+Na]+ 389.122018 199.3
[M-H]- 365.125524 198.7
[M+NH4]+ 384.166623 193.2
[M+K]+ 405.095958 194.5
[M+H-H2O]+ 349.130060 179.2
[M+HCOO]- 411.131001 209.1
[M+CH3COO]- 425.146651 199.0
[M+Na-2H]- 387.107466 187.7
[M]+ 366.13225142 197.2
[M]- 366.13334858 197.2
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

patents stripe