CID 57422431

Fema no. 4725

Structural Information

Molecular Formula
C19H19N5O4
SMILES
CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)CN(C3=O)CC4=CC(=CC=C4)O
InChI
InChI=1S/C19H19N5O4/c1-12-17(13(2)28-21-12)10-23-9-15(7-20-23)24-18(26)11-22(19(24)27)8-14-4-3-5-16(25)6-14/h3-7,9,25H,8,10-11H2,1-2H3
InChIKey
LLJBKECMPVCSDS-UHFFFAOYSA-N
Compound name
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(3-hydroxyphenyl)methyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

167
Patents

381.1437 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.15098 187.2
[M+Na]+ 404.13292 198.0
[M-H]- 380.13642 195.9
[M+NH4]+ 399.17752 195.8
[M+K]+ 420.10686 193.9
[M+H-H2O]+ 364.14096 177.8
[M+HCOO]- 426.14190 205.2
[M+CH3COO]- 440.15755 197.8
[M+Na-2H]- 402.11837 182.0
[M]+ 381.14315 192.2
[M]- 381.14425 192.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe