CID 366824

Nsc635596

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CCN(CC)CCC(=O)NC1C2=CC=CC=C2OC3=CC=CC=C13
InChI
InChI=1S/C20H24N2O2/c1-3-22(4-2)14-13-19(23)21-20-15-9-5-7-11-17(15)24-18-12-8-6-10-16(18)20/h5-12,20H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKey
LMAPLSAOTREPGZ-UHFFFAOYSA-N
Compound name
3-(diethylamino)-N-(9H-xanthen-9-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.18378 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 178.5
[M+Na]+ 347.17300 183.0
[M-H]- 323.17650 184.7
[M+NH4]+ 342.21760 193.2
[M+K]+ 363.14694 180.7
[M+H-H2O]+ 307.18104 169.7
[M+HCOO]- 369.18198 198.6
[M+CH3COO]- 383.19763 219.0
[M+Na-2H]- 345.15845 184.3
[M]+ 324.18323 180.8
[M]- 324.18433 180.8
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.