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 189.0
[M+Na]+ 389.12202 199.3
[M-H]- 365.12552 198.7
[M+NH4]+ 384.16662 193.2
[M+K]+ 405.09596 194.5
[M+H-H2O]+ 349.13006 179.2
[M+HCOO]- 411.13100 209.1
[M+CH3COO]- 425.14665 199.0
[M+Na-2H]- 387.10747 187.7
[M]+ 366.13225 197.2
[M]- 366.13335 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