CID 129406620

Puvp61sosi

Structural Information

Molecular Formula
C21H24N4O2
SMILES
CC(C)(C)[C@@H](C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CC3=CC=CC=C3
InChI
InChI=1S/C21H24N4O2/c1-21(2,3)18(19(22)26)23-20(27)17-15-11-7-8-12-16(15)25(24-17)13-14-9-5-4-6-10-14/h4-12,18H,13H2,1-3H3,(H2,22,26)(H,23,27)/t18-/m1/s1
InChIKey
IUFIUAWRCUVUCQ-GOSISDBHSA-N
Compound name
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

364.1899 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19718 189.2
[M+Na]+ 387.17912 194.8
[M-H]- 363.18262 194.2
[M+NH4]+ 382.22372 200.7
[M+K]+ 403.15306 190.5
[M+H-H2O]+ 347.18716 180.1
[M+HCOO]- 409.18810 208.2
[M+CH3COO]- 423.20375 221.4
[M+Na-2H]- 385.16457 191.5
[M]+ 364.18935 190.1
[M]- 364.19045 190.1
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