CID 66509378

1361112-46-0

Structural Information

Molecular Formula
C15H25N5O2
SMILES
CC(C)(C)OC(=O)N1CCN2C(=NN=C2C3CCNCC3)C1
InChI
InChI=1S/C15H25N5O2/c1-15(2,3)22-14(21)19-8-9-20-12(10-19)17-18-13(20)11-4-6-16-7-5-11/h11,16H,4-10H2,1-3H3
InChIKey
MTJWTEGHDTUIGK-UHFFFAOYSA-N
Compound name
tert-butyl 3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

307.20084 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20812 179.5
[M+Na]+ 330.19006 183.6
[M-H]- 306.19356 177.8
[M+NH4]+ 325.23466 189.1
[M+K]+ 346.16400 179.8
[M+H-H2O]+ 290.19810 169.2
[M+HCOO]- 352.19904 186.5
[M+CH3COO]- 366.21469 200.8
[M+Na-2H]- 328.17551 179.6
[M]+ 307.20029 173.5
[M]- 307.20139 173.5
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