CID 135429410

{6-[5-(2-hydroxy-5-methyl-phenyl)-[1,2,4]oxadiazol-3-yl]-pyridin-3-yl}-carbamic acid tert-butyl ester

Structural Information

Molecular Formula
C19H20N4O4
SMILES
CC1=CC(=C(C=C1)O)C2=NC(=NO2)C3=NC=C(C=C3)NC(=O)OC(C)(C)C
InChI
InChI=1S/C19H20N4O4/c1-11-5-8-15(24)13(9-11)17-22-16(23-27-17)14-7-6-12(10-20-14)21-18(25)26-19(2,3)4/h5-10,24H,1-4H3,(H,21,25)
InChIKey
OQTINZZNSQBUSA-UHFFFAOYSA-N
Compound name
tert-butyl N-[6-[5-(2-hydroxy-5-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

368.14847 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15575 188.7
[M+Na]+ 391.13769 196.7
[M-H]- 367.14119 195.3
[M+NH4]+ 386.18229 196.5
[M+K]+ 407.11163 193.7
[M+H-H2O]+ 351.14573 178.8
[M+HCOO]- 413.14667 206.4
[M+CH3COO]- 427.16232 215.4
[M+Na-2H]- 389.12314 191.6
[M]+ 368.14792 192.4
[M]- 368.14902 192.4
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