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]+ 359.20778 186.4
[M+Na]+ 381.18972 198.0
[M+NH4]+ 376.23432 191.1
[M+K]+ 397.16366 195.4
[M-H]- 357.19322 189.3
[M+Na-2H]- 379.17517 191.6
[M]+ 358.19995 188.7
[M]- 358.20105 188.7
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.