CID 34196765

1169982-16-4

Structural Information

Molecular Formula
C19H26N4O3
SMILES
CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C(=O)OC(C)(C)C
InChI
InChI=1S/C19H26N4O3/c1-14-5-7-15(8-6-14)17-20-16(26-21-17)13-22-9-11-23(12-10-22)18(24)25-19(2,3)4/h5-8H,9-13H2,1-4H3
InChIKey
WYOCTONXZBNSAN-UHFFFAOYSA-N
Compound name
tert-butyl 4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.2005 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.207776 189.2
[M+Na]+ 381.189718 194.9
[M-H]- 357.193224 194.0
[M+NH4]+ 376.234323 196.7
[M+K]+ 397.163658 192.3
[M+H-H2O]+ 341.197760 178.3
[M+HCOO]- 403.198701 201.5
[M+CH3COO]- 417.214351 213.0
[M+Na-2H]- 379.175166 189.2
[M]+ 358.19995142 189.8
[M]- 358.20104858 189.8
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

No patent data available for this compound.