CID 162368474

76qq7sdu32

Structural Information

Molecular Formula
C19H26N4O2
SMILES
CC(C)(C)[C@@H](C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CCCC=C
InChI
InChI=1S/C19H26N4O2/c1-5-6-9-12-23-14-11-8-7-10-13(14)15(22-23)18(25)21-16(17(20)24)19(2,3)4/h5,7-8,10-11,16H,1,6,9,12H2,2-4H3,(H2,20,24)(H,21,25)/t16-/m1/s1
InChIKey
NXDLAZXBALPFSN-MRXNPFEDSA-N
Compound name
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-pent-4-enylindazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

342.20557 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.21285 183.3
[M+Na]+ 365.19479 191.1
[M+NH4]+ 360.23939 187.4
[M+K]+ 381.16873 189.0
[M-H]- 341.19829 182.5
[M+Na-2H]- 363.18024 185.3
[M]+ 342.20502 183.7
[M]- 342.20612 183.7
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