CID 162705324

Dtxsid601038864

Structural Information

Molecular Formula
C19H26N4O2
SMILES
CC(C)(C)C(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)
InChIKey
NXDLAZXBALPFSN-UHFFFAOYSA-N
Compound name
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pent-4-enylindazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

342.20557 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.212846 186.3
[M+Na]+ 365.194788 192.0
[M-H]- 341.198294 187.8
[M+NH4]+ 360.239393 199.2
[M+K]+ 381.168728 187.9
[M+H-H2O]+ 325.202830 178.2
[M+HCOO]- 387.203771 204.8
[M+CH3COO]- 401.219421 218.7
[M+Na-2H]- 363.180236 187.0
[M]+ 342.20502142 188.3
[M]- 342.20611858 188.3
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