CID 146155801

2416235-77-1

Structural Information

Molecular Formula
C17H27N3O2
SMILES
CC(C)(C)OC(=O)NC1(CCNC1)C2=CC(=CC=C2)N(C)C
InChI
InChI=1S/C17H27N3O2/c1-16(2,3)22-15(21)19-17(9-10-18-12-17)13-7-6-8-14(11-13)20(4)5/h6-8,11,18H,9-10,12H2,1-5H3,(H,19,21)
InChIKey
QDWUZVOVNWSXCO-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-[3-(dimethylamino)phenyl]pyrrolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.21033 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.21761 173.8
[M+Na]+ 328.19955 180.9
[M+NH4]+ 323.24415 181.2
[M+K]+ 344.17349 176.9
[M-H]- 304.20305 175.7
[M+Na-2H]- 326.18500 179.8
[M]+ 305.20978 175.1
[M]- 305.21088 175.1
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

No patent data available for this compound.