CID 366834

Nsc635606

Structural Information

Molecular Formula
C19H22N2O2
SMILES
CC1=C2C(=CC=C1)C(C3=CC=CC=C3O2)NC(=O)CCN(C)C
InChI
InChI=1S/C19H22N2O2/c1-13-7-6-9-15-18(20-17(22)11-12-21(2)3)14-8-4-5-10-16(14)23-19(13)15/h4-10,18H,11-12H2,1-3H3,(H,20,22)
InChIKey
FXBLRUXSRVSFOC-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-N-(4-methyl-9H-xanthen-9-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.16812 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 174.4
[M+Na]+ 333.15734 180.3
[M-H]- 309.16084 181.2
[M+NH4]+ 328.20194 190.0
[M+K]+ 349.13128 178.2
[M+H-H2O]+ 293.16538 166.0
[M+HCOO]- 355.16632 194.8
[M+CH3COO]- 369.18197 217.2
[M+Na-2H]- 331.14279 180.0
[M]+ 310.16757 176.8
[M]- 310.16867 176.8
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.