CID 165981071

Tert-butyl n-(3-cyclopropoxy-5-methoxyphenyl)carbamate

Structural Information

Molecular Formula
C15H21NO4
SMILES
CC(C)(C)OC(=O)NC1=CC(=CC(=C1)OC2CC2)OC
InChI
InChI=1S/C15H21NO4/c1-15(2,3)20-14(17)16-10-7-12(18-4)9-13(8-10)19-11-5-6-11/h7-9,11H,5-6H2,1-4H3,(H,16,17)
InChIKey
VUNZJBTYTREZLK-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-cyclopropyloxy-5-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14706 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.154336 162.7
[M+Na]+ 302.136278 170.7
[M-H]- 278.139784 170.3
[M+NH4]+ 297.180883 174.2
[M+K]+ 318.110218 168.4
[M+H-H2O]+ 262.144320 155.9
[M+HCOO]- 324.145261 185.2
[M+CH3COO]- 338.160911 204.0
[M+Na-2H]- 300.121726 167.0
[M]+ 279.14651142 169.7
[M]- 279.14760858 169.7
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.