CID 146155035

2416229-39-3

Structural Information

Molecular Formula
C12H20N4O2
SMILES
CC1=NN2CCCNC2=C1NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H20N4O2/c1-8-9(14-11(17)18-12(2,3)4)10-13-6-5-7-16(10)15-8/h13H,5-7H2,1-4H3,(H,14,17)
InChIKey
LFRCLLVZKQZECJ-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.15863 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16591 161.9
[M+Na]+ 275.14785 168.3
[M-H]- 251.15135 160.9
[M+NH4]+ 270.19245 177.2
[M+K]+ 291.12179 165.7
[M+H-H2O]+ 235.15589 154.4
[M+HCOO]- 297.15683 176.8
[M+CH3COO]- 311.17248 193.9
[M+Na-2H]- 273.13330 165.3
[M]+ 252.15808 160.1
[M]- 252.15918 160.1
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.