CID 72710773

1445583-48-1

Structural Information

Molecular Formula
C20H29N3O2
SMILES
CCCCCN1C=C(C2=CC=CC=C21)C(=O)NC(C(=O)N)C(C)(C)C
InChI
InChI=1S/C20H29N3O2/c1-5-6-9-12-23-13-15(14-10-7-8-11-16(14)23)19(25)22-17(18(21)24)20(2,3)4/h7-8,10-11,13,17H,5-6,9,12H2,1-4H3,(H2,21,24)(H,22,25)
InChIKey
IXUYMXAKKYWKRG-UHFFFAOYSA-N
Compound name
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

33
Patents

343.22598 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.233256 187.9
[M+Na]+ 366.215198 192.8
[M-H]- 342.218704 190.4
[M+NH4]+ 361.259803 202.1
[M+K]+ 382.189138 189.3
[M+H-H2O]+ 326.223240 180.3
[M+HCOO]- 388.224181 207.1
[M+CH3COO]- 402.239831 219.8
[M+Na-2H]- 364.200646 187.8
[M]+ 343.22543142 190.4
[M]- 343.22652858 190.4
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