CID 129349949

Ab-bica

Structural Information

Molecular Formula
C21H23N3O2
SMILES
CC(C)[C@@H](C(=O)N)NC(=O)C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3
InChI
InChI=1S/C21H23N3O2/c1-14(2)19(20(22)25)23-21(26)17-13-24(12-15-8-4-3-5-9-15)18-11-7-6-10-16(17)18/h3-11,13-14,19H,12H2,1-2H3,(H2,22,25)(H,23,26)/t19-/m0/s1
InChIKey
KWZMKPNXFPNTEJ-IBGZPJMESA-N
Compound name
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

349.17902 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.186296 185.4
[M+Na]+ 372.168238 190.2
[M-H]- 348.171744 191.3
[M+NH4]+ 367.212843 198.5
[M+K]+ 388.142178 186.0
[M+H-H2O]+ 332.176280 176.4
[M+HCOO]- 394.177221 206.2
[M+CH3COO]- 408.192871 219.9
[M+Na-2H]- 370.153686 185.2
[M]+ 349.17847142 185.7
[M]- 349.17956858 185.7
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