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
1
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]+ 275.150246 164.4
[M+Na]+ 297.132188 170.7
[M-H]- 273.135694 165.1
[M+NH4]+ 292.176793 179.2
[M+K]+ 313.106128 167.6
[M+H-H2O]+ 257.140230 157.2
[M+HCOO]- 319.141171 183.0
[M+CH3COO]- 333.156821 201.0
[M+Na-2H]- 295.117636 168.0
[M]+ 274.14242142 163.2
[M]- 274.14351858 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.