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]+ 367.14008 187.9
[M+Na]+ 389.12202 202.5
[M+NH4]+ 384.16662 193.2
[M+K]+ 405.09596 202.2
[M-H]- 365.12552 198.7
[M+Na-2H]- 387.10747 197.2
[M]+ 366.13225 194.1
[M]- 366.13335 194.1
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

patents stripe