CID 155928944

Jsr4z7qbw9

Structural Information

Molecular Formula
C14H18N4O2
SMILES
CC(C)(C)[C@@H](C(=O)N)NC(=O)C1=NNC2=CC=CC=C21
InChI
InChI=1S/C14H18N4O2/c1-14(2,3)11(12(15)19)16-13(20)10-8-6-4-5-7-9(8)17-18-10/h4-7,11H,1-3H3,(H2,15,19)(H,16,20)(H,17,18)/t11-/m1/s1
InChIKey
UFECWXZSRFBSHC-LLVKDONJSA-N
Compound name
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1H-indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

274.14297 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15025 164.4
[M+Na]+ 297.13219 170.7
[M-H]- 273.13569 165.1
[M+NH4]+ 292.17679 179.2
[M+K]+ 313.10613 167.6
[M+H-H2O]+ 257.14023 157.2
[M+HCOO]- 319.14117 183.0
[M+CH3COO]- 333.15682 201.0
[M+Na-2H]- 295.11764 168.0
[M]+ 274.14242 163.2
[M]- 274.14352 163.2
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.