CID 104933615

1698549-81-3

Structural Information

Molecular Formula
C15H24N4O4
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CC2=C(C=NN2C)C(=O)O
InChI
InChI=1S/C15H24N4O4/c1-15(2,3)23-14(22)19-7-5-18(6-8-19)10-12-11(13(20)21)9-16-17(12)4/h9H,5-8,10H2,1-4H3,(H,20,21)
InChIKey
MBEAJWHCJZLBBM-UHFFFAOYSA-N
Compound name
1-methyl-5-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.17975 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.18703 178.6
[M+Na]+ 347.16897 184.0
[M-H]- 323.17247 178.6
[M+NH4]+ 342.21357 188.4
[M+K]+ 363.14291 182.1
[M+H-H2O]+ 307.17701 169.8
[M+HCOO]- 369.17795 189.9
[M+CH3COO]- 383.19360 204.9
[M+Na-2H]- 345.15442 177.0
[M]+ 324.17920 178.3
[M]- 324.18030 178.3
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.