CID 137943570

2287319-28-0

Structural Information

Molecular Formula
C16H28N4O4
SMILES
CC1=C(C(=NN1C)C)N(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C16H28N4O4/c1-10-12(11(2)19(9)17-10)20(14(22)24-16(6,7)8)18-13(21)23-15(3,4)5/h1-9H3,(H,18,21)
InChIKey
DPSOQYKJWQQNSX-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.21106 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.21834 182.3
[M+Na]+ 363.20028 188.7
[M-H]- 339.20378 185.7
[M+NH4]+ 358.24488 196.2
[M+K]+ 379.17422 189.8
[M+H-H2O]+ 323.20832 175.6
[M+HCOO]- 385.20926 201.5
[M+CH3COO]- 399.22491 219.1
[M+Na-2H]- 361.18573 183.2
[M]+ 340.21051 188.9
[M]- 340.21161 188.9
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.