CID 117810339

1643141-19-8

Structural Information

Molecular Formula
C12H20N4O3
SMILES
CC(C)(C)OC(=O)N(C)CC1=NN(C(=C1)C(=O)N)C
InChI
InChI=1S/C12H20N4O3/c1-12(2,3)19-11(18)15(4)7-8-6-9(10(13)17)16(5)14-8/h6H,7H2,1-5H3,(H2,13,17)
InChIKey
WNVBTEJFIHFYRT-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-carbamoyl-1-methylpyrazol-3-yl)methyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

268.15353 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16081 161.9
[M+Na]+ 291.14275 168.4
[M+NH4]+ 286.18735 165.9
[M+K]+ 307.11669 168.9
[M-H]- 267.14625 160.1
[M+Na-2H]- 289.12820 163.5
[M]+ 268.15298 161.7
[M]- 268.15408 161.7
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

patents stripe