CID 54594258

Tert-butyl n-(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)carbamate

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CC(C)(C)OC(=O)NC1CCNC2=C1C=C(C=C2)OC
InChI
InChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-13-7-8-16-12-6-5-10(19-4)9-11(12)13/h5-6,9,13,16H,7-8H2,1-4H3,(H,17,18)
InChIKey
KJFWZEYMTYKYHV-UHFFFAOYSA-N
Compound name
tert-butyl N-(6-methoxy-1,2,3,4-tetrahydroquinolin-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.16306 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.170336 166.2
[M+Na]+ 301.152278 171.3
[M-H]- 277.155784 167.4
[M+NH4]+ 296.196883 181.2
[M+K]+ 317.126218 168.8
[M+H-H2O]+ 261.160320 159.3
[M+HCOO]- 323.161261 182.2
[M+CH3COO]- 337.176911 199.6
[M+Na-2H]- 299.137726 170.9
[M]+ 278.16251142 165.2
[M]- 278.16360858 165.2
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

No patent data available for this compound.