CID 102571616

Tdp-2

Structural Information

Molecular Formula
C17H22N2O5
SMILES
CC(=O)NC(CC(=O)C1=C(C2=C(C=C1)OC(CC2=O)(C)C)N)CO
InChI
InChI=1S/C17H22N2O5/c1-9(21)19-10(8-20)6-12(22)11-4-5-14-15(16(11)18)13(23)7-17(2,3)24-14/h4-5,10,20H,6-8,18H2,1-3H3,(H,19,21)
InChIKey
VXRAAUKUZQYZRW-UHFFFAOYSA-N
Compound name
N-[4-(5-amino-2,2-dimethyl-4-oxo-3H-chromen-6-yl)-1-hydroxy-4-oxobutan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

334.15286 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16014 177.8
[M+Na]+ 357.14208 183.3
[M-H]- 333.14558 180.8
[M+NH4]+ 352.18668 191.8
[M+K]+ 373.11602 182.4
[M+H-H2O]+ 317.15012 171.7
[M+HCOO]- 379.15106 193.9
[M+CH3COO]- 393.16671 216.1
[M+Na-2H]- 355.12753 178.5
[M]+ 334.15231 178.0
[M]- 334.15341 178.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe