CID 155820521

2460750-64-3

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CC(C)(C)OC(=O)NCCCC1=CC2=C(CCCN2)C=C1
InChI
InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-11-4-6-13-8-9-14-7-5-10-18-15(14)12-13/h8-9,12,18H,4-7,10-11H2,1-3H3,(H,19,20)
InChIKey
XQEGXVZQPCHNAT-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(1,2,3,4-tetrahydroquinolin-7-yl)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 172.3
[M+Na]+ 313.18865 175.8
[M-H]- 289.19215 172.7
[M+NH4]+ 308.23325 186.6
[M+K]+ 329.16259 172.1
[M+H-H2O]+ 273.19669 164.9
[M+HCOO]- 335.19763 187.4
[M+CH3COO]- 349.21328 202.2
[M+Na-2H]- 311.17410 176.5
[M]+ 290.19888 170.1
[M]- 290.19998 170.1
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.