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]+ 279.17034 166.2
[M+Na]+ 301.15228 171.3
[M-H]- 277.15578 167.4
[M+NH4]+ 296.19688 181.2
[M+K]+ 317.12622 168.8
[M+H-H2O]+ 261.16032 159.3
[M+HCOO]- 323.16126 182.2
[M+CH3COO]- 337.17691 199.6
[M+Na-2H]- 299.13773 170.9
[M]+ 278.16251 165.2
[M]- 278.16361 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.