CID 5273044

Chembl81023

Structural Information

Molecular Formula
C19H22N4O4
SMILES
CC1=CC(=CC(=C1OCCCC2=CC(=NO2)C)C)C3=NOC(=N3)NC(=O)C
InChI
InChI=1S/C19H22N4O4/c1-11-8-15(18-21-19(27-23-18)20-14(4)24)9-12(2)17(11)25-7-5-6-16-10-13(3)22-26-16/h8-10H,5-7H2,1-4H3,(H,20,21,23,24)
InChIKey
MQNMGKAXEUIANH-UHFFFAOYSA-N
Compound name
N-[3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-1,2,4-oxadiazol-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

370.1641 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17138 188.8
[M+Na]+ 393.15332 198.5
[M-H]- 369.15682 197.9
[M+NH4]+ 388.19792 198.1
[M+K]+ 409.12726 196.8
[M+H-H2O]+ 353.16136 179.5
[M+HCOO]- 415.16230 210.8
[M+CH3COO]- 429.17795 219.5
[M+Na-2H]- 391.13877 188.8
[M]+ 370.16355 198.2
[M]- 370.16465 198.2
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