CID 167713261

Mdmb-inaca

Structural Information

Molecular Formula
C15H19N3O3
SMILES
CC(C)(C)[C@@H](C(=O)OC)NC(=O)C1=NNC2=CC=CC=C21
InChI
InChI=1S/C15H19N3O3/c1-15(2,3)12(14(20)21-4)16-13(19)11-9-7-5-6-8-10(9)17-18-11/h5-8,12H,1-4H3,(H,16,19)(H,17,18)/t12-/m1/s1
InChIKey
QEXPVGIGOZJEOO-GFCCVEGCSA-N
Compound name
methyl (2S)-2-(1H-indazole-3-carbonylamino)-3,3-dimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

289.14264 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14992 168.4
[M+Na]+ 312.13186 175.1
[M-H]- 288.13536 169.4
[M+NH4]+ 307.17646 183.2
[M+K]+ 328.10580 172.5
[M+H-H2O]+ 272.13990 161.2
[M+HCOO]- 334.14084 186.4
[M+CH3COO]- 348.15649 200.8
[M+Na-2H]- 310.11731 172.0
[M]+ 289.14209 170.5
[M]- 289.14319 170.5
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.