CID 22029161

4-(5-bromo-2,3-dihydro-indol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester

Structural Information

Molecular Formula
C18H25BrN2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2CCC3=C2C=CC(=C3)Br
InChI
InChI=1S/C18H25BrN2O2/c1-18(2,3)23-17(22)20-9-7-15(8-10-20)21-11-6-13-12-14(19)4-5-16(13)21/h4-5,12,15H,6-11H2,1-3H3
InChIKey
MGCVDSKPCGERMO-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5-bromo-2,3-dihydroindol-1-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

380.10995 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.11723 189.1
[M+Na]+ 403.09917 197.3
[M-H]- 379.10267 195.7
[M+NH4]+ 398.14377 205.2
[M+K]+ 419.07311 186.2
[M+H-H2O]+ 363.10721 187.7
[M+HCOO]- 425.10815 200.4
[M+CH3COO]- 439.12380 212.5
[M+Na-2H]- 401.08462 189.8
[M]+ 380.10940 205.2
[M]- 380.11050 205.2
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