CID 134828216

Niosh/ar7672000

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CCN(CC)CCOC(=O)N1C2=CC=CC=C2CC3=CC=CC=C31
InChI
InChI=1S/C20H24N2O2/c1-3-21(4-2)13-14-24-20(23)22-18-11-7-5-9-16(18)15-17-10-6-8-12-19(17)22/h5-12H,3-4,13-15H2,1-2H3
InChIKey
KVGSGNWLFHEART-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 9H-acridine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.18378 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 178.8
[M+Na]+ 347.17300 183.9
[M-H]- 323.17650 182.9
[M+NH4]+ 342.21760 193.7
[M+K]+ 363.14694 180.4
[M+H-H2O]+ 307.18104 169.3
[M+HCOO]- 369.18198 197.4
[M+CH3COO]- 383.19763 215.7
[M+Na-2H]- 345.15845 183.5
[M]+ 324.18323 181.5
[M]- 324.18433 181.5
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.