CID 118531075

1622426-24-7

Structural Information

Molecular Formula
C14H24N4O3
SMILES
CC1=CN(N=C1)C(=O)N(C)CCN(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H24N4O3/c1-11-9-15-18(10-11)12(19)16(5)7-8-17(6)13(20)21-14(2,3)4/h9-10H,7-8H2,1-6H3
InChIKey
OGWFKBLFWLXJQC-UHFFFAOYSA-N
Compound name
tert-butyl N-methyl-N-[2-[methyl-(4-methylpyrazole-1-carbonyl)amino]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

296.18484 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19212 171.8
[M+Na]+ 319.17406 177.1
[M-H]- 295.17756 175.8
[M+NH4]+ 314.21866 187.3
[M+K]+ 335.14800 178.7
[M+H-H2O]+ 279.18210 163.7
[M+HCOO]- 341.18304 193.6
[M+CH3COO]- 355.19869 212.7
[M+Na-2H]- 317.15951 172.7
[M]+ 296.18429 177.5
[M]- 296.18539 177.5
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