CID 3719271

3,6-bis(dimethylamino)-9h-xanthen-9-one

Structural Information

Molecular Formula
C17H18N2O2
SMILES
CN(C)C1=CC2=C(C=C1)C(=O)C3=C(O2)C=C(C=C3)N(C)C
InChI
InChI=1S/C17H18N2O2/c1-18(2)11-5-7-13-15(9-11)21-16-10-12(19(3)4)6-8-14(16)17(13)20/h5-10H,1-4H3
InChIKey
ARANMANIVCLFTJ-UHFFFAOYSA-N
Compound name
3,6-bis(dimethylamino)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

282.13684 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14412 164.4
[M+Na]+ 305.12606 174.5
[M-H]- 281.12956 174.2
[M+NH4]+ 300.17066 182.3
[M+K]+ 321.10000 173.4
[M+H-H2O]+ 265.13410 156.1
[M+HCOO]- 327.13504 189.8
[M+CH3COO]- 341.15069 215.1
[M+Na-2H]- 303.11151 172.6
[M]+ 282.13629 171.3
[M]- 282.13739 171.3
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