CID 58124399

05235e1s2o

Structural Information

Molecular Formula
C21H23FN4O2
SMILES
CC(C)(C)[C@@H](C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)F
InChI
InChI=1S/C21H23FN4O2/c1-21(2,3)18(19(23)27)24-20(28)17-15-6-4-5-7-16(15)26(25-17)12-13-8-10-14(22)11-9-13/h4-11,18H,12H2,1-3H3,(H2,23,27)(H,24,28)/t18-/m1/s1
InChIKey
ZSSGCSINPVBLQD-GOSISDBHSA-N
Compound name
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

32
Patents

382.1805 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.18778 189.8
[M+Na]+ 405.16972 199.5
[M+NH4]+ 400.21432 194.3
[M+K]+ 421.14366 196.8
[M-H]- 381.17322 190.7
[M+Na-2H]- 403.15517 194.6
[M]+ 382.17995 191.1
[M]- 382.18105 191.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe