CID 3035265

Brn 1270238

Structural Information

Molecular Formula
C21H21NO6
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OCC(=O)N(CCO)CCO
InChI
InChI=1S/C21H21NO6/c23-10-8-22(9-11-24)21(26)14-27-16-6-7-17-18(25)13-19(28-20(17)12-16)15-4-2-1-3-5-15/h1-7,12-13,23-24H,8-11,14H2
InChIKey
OIYQTPKDKNTNIK-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxyethyl)-2-(4-oxo-2-phenylchromen-7-yl)oxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1369 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14418 188.8
[M+Na]+ 406.12612 194.2
[M-H]- 382.12962 195.4
[M+NH4]+ 401.17072 198.5
[M+K]+ 422.10006 192.4
[M+H-H2O]+ 366.13416 179.2
[M+HCOO]- 428.13510 208.4
[M+CH3COO]- 442.15075 219.5
[M+Na-2H]- 404.11157 192.7
[M]+ 383.13635 194.0
[M]- 383.13745 194.0
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.