CID 296316

16140-33-3

Structural Information

Molecular Formula
C20H23ClN2O3
SMILES
CCN(CC)CCNC1=C2C(=C(C=C1)CO)OC3=C(C2=O)C=CC(=C3)Cl
InChI
InChI=1S/C20H23ClN2O3/c1-3-23(4-2)10-9-22-16-8-5-13(12-24)20-18(16)19(25)15-7-6-14(21)11-17(15)26-20/h5-8,11,22,24H,3-4,9-10,12H2,1-2H3
InChIKey
SXELCCLTOPMSOW-UHFFFAOYSA-N
Compound name
6-chloro-1-[2-(diethylamino)ethylamino]-4-(hydroxymethyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

374.1397 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.14698 189.0
[M+Na]+ 397.12892 198.7
[M-H]- 373.13242 195.5
[M+NH4]+ 392.17352 203.0
[M+K]+ 413.10286 194.1
[M+H-H2O]+ 357.13696 181.4
[M+HCOO]- 419.13790 207.0
[M+CH3COO]- 433.15355 225.3
[M+Na-2H]- 395.11437 194.7
[M]+ 374.13915 198.2
[M]- 374.14025 198.2
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.