CID 135429405

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

Structural Information

Molecular Formula
C19H20N4O5
SMILES
CC(C)(C)OC(=O)NC1=CN=C(C=C1)C2=NOC(=N2)C3=C(C=CC(=C3)OC)O
InChI
InChI=1S/C19H20N4O5/c1-19(2,3)27-18(25)21-11-5-7-14(20-10-11)16-22-17(28-23-16)13-9-12(26-4)6-8-15(13)24/h5-10,24H,1-4H3,(H,21,25)
InChIKey
HCYJCXSUNQARFR-UHFFFAOYSA-N
Compound name
tert-butyl N-[6-[5-(2-hydroxy-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

384.14337 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15065 190.9
[M+Na]+ 407.13259 198.5
[M-H]- 383.13609 197.5
[M+NH4]+ 402.17719 197.9
[M+K]+ 423.10653 196.4
[M+H-H2O]+ 367.14063 180.8
[M+HCOO]- 429.14157 208.8
[M+CH3COO]- 443.15722 217.7
[M+Na-2H]- 405.11804 194.1
[M]+ 384.14282 195.9
[M]- 384.14392 195.9
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