CID 155804661

Mdmb-4en-pinaca

Structural Information

Molecular Formula
C20H27N3O3
SMILES
CC(C)(C)[C@@H](C(=O)OC)NC(=O)C1=NN(C2=CC=CC=C21)CCCC=C
InChI
InChI=1S/C20H27N3O3/c1-6-7-10-13-23-15-12-9-8-11-14(15)16(22-23)18(24)21-17(19(25)26-5)20(2,3)4/h6,8-9,11-12,17H,1,7,10,13H2,2-5H3,(H,21,24)/t17-/m1/s1
InChIKey
LWOCBHBFWNGPGM-QGZVFWFLSA-N
Compound name
methyl (2S)-3,3-dimethyl-2-[(1-pent-4-enylindazole-3-carbonyl)amino]butanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

23
References

23
Patents

357.20523 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.21251 186.9
[M+Na]+ 380.19445 195.7
[M+NH4]+ 375.23905 190.9
[M+K]+ 396.16839 193.1
[M-H]- 356.19795 185.5
[M+Na-2H]- 378.17990 188.9
[M]+ 357.20468 187.3
[M]- 357.20578 187.3
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