CID 165365257

Adb-phetinaca

Structural Information

Molecular Formula
C22H26N4O2
SMILES
CC(C)(C)[C@@H](C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CCC3=CC=CC=C3
InChI
InChI=1S/C22H26N4O2/c1-22(2,3)19(20(23)27)24-21(28)18-16-11-7-8-12-17(16)26(25-18)14-13-15-9-5-4-6-10-15/h4-12,19H,13-14H2,1-3H3,(H2,23,27)(H,24,28)/t19-/m1/s1
InChIKey
GIUNLIQZFMBOGJ-LJQANCHMSA-N
Compound name
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(2-phenylethyl)indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

378.20557 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21285 193.7
[M+Na]+ 401.19479 198.9
[M-H]- 377.19829 198.5
[M+NH4]+ 396.23939 204.6
[M+K]+ 417.16873 194.3
[M+H-H2O]+ 361.20283 184.4
[M+HCOO]- 423.20377 212.3
[M+CH3COO]- 437.21942 224.3
[M+Na-2H]- 399.18024 195.5
[M]+ 378.20502 195.0
[M]- 378.20612 195.0
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