CID 145915464

2402829-15-4

Structural Information

Molecular Formula
C16H23BrN4O2
SMILES
CC(C)(C)OC(=O)N1CCCC2(C1)CN(C2)C3=CN=C(C=N3)Br
InChI
InChI=1S/C16H23BrN4O2/c1-15(2,3)23-14(22)20-6-4-5-16(9-20)10-21(11-16)13-8-18-12(17)7-19-13/h7-8H,4-6,9-11H2,1-3H3
InChIKey
VXUPGWYVLYOESF-UHFFFAOYSA-N
Compound name
tert-butyl 2-(5-bromopyrazin-2-yl)-2,8-diazaspiro[3.5]nonane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.10043 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.10771 174.9
[M+Na]+ 405.08965 182.6
[M-H]- 381.09315 179.8
[M+NH4]+ 400.13425 181.8
[M+K]+ 421.06359 175.2
[M+H-H2O]+ 365.09769 167.8
[M+HCOO]- 427.09863 184.0
[M+CH3COO]- 441.11428 213.7
[M+Na-2H]- 403.07510 180.1
[M]+ 382.09988 198.7
[M]- 382.10098 198.7
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.