CID 366825

Nsc635597

Structural Information

Molecular Formula
C18H20N2O2
SMILES
CC1=C2C(=CC=C1)C(C3=CC=CC=C3O2)NC(=O)CN(C)C
InChI
InChI=1S/C18H20N2O2/c1-12-7-6-9-14-17(19-16(21)11-20(2)3)13-8-4-5-10-15(13)22-18(12)14/h4-10,17H,11H2,1-3H3,(H,19,21)
InChIKey
OPNIMBCGYQMCPM-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-N-(4-methyl-9H-xanthen-9-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.15247 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 169.6
[M+Na]+ 319.14169 176.0
[M-H]- 295.14519 176.6
[M+NH4]+ 314.18629 185.8
[M+K]+ 335.11563 174.2
[M+H-H2O]+ 279.14973 161.4
[M+HCOO]- 341.15067 190.4
[M+CH3COO]- 355.16632 214.3
[M+Na-2H]- 317.12714 175.8
[M]+ 296.15192 171.7
[M]- 296.15302 171.7
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.