CID 68159401

Tert-butyl n-(4-oxo-3,4-dihydro-2h-1-benzopyran-6-yl)carbamate

Structural Information

Molecular Formula
C14H17NO4
SMILES
CC(C)(C)OC(=O)NC1=CC2=C(C=C1)OCCC2=O
InChI
InChI=1S/C14H17NO4/c1-14(2,3)19-13(17)15-9-4-5-12-10(8-9)11(16)6-7-18-12/h4-5,8H,6-7H2,1-3H3,(H,15,17)
InChIKey
MPYOJWISFVDHSC-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-oxo-2,3-dihydrochromen-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

263.11575 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.123026 158.2
[M+Na]+ 286.104968 164.5
[M-H]- 262.108474 163.1
[M+NH4]+ 281.149573 174.5
[M+K]+ 302.078908 164.2
[M+H-H2O]+ 246.113010 152.0
[M+HCOO]- 308.113951 176.9
[M+CH3COO]- 322.129601 197.8
[M+Na-2H]- 284.090416 164.8
[M]+ 263.11520142 159.5
[M]- 263.11629858 159.5
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

patents stripe