CID 107805

Acridine carboxamide

Structural Information

Molecular Formula
C18H19N3O
SMILES
CN(C)CCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C21
InChI
InChI=1S/C18H19N3O/c1-21(2)11-10-19-18(22)15-8-5-7-14-12-13-6-3-4-9-16(13)20-17(14)15/h3-9,12H,10-11H2,1-2H3,(H,19,22)
InChIKey
XBGNERSKEKDZDS-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

79
References

8505
Patents

293.1528 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.16008 167.8
[M+Na]+ 316.14202 175.2
[M-H]- 292.14552 173.1
[M+NH4]+ 311.18662 184.0
[M+K]+ 332.11596 171.1
[M+H-H2O]+ 276.15006 158.7
[M+HCOO]- 338.15100 190.9
[M+CH3COO]- 352.16665 212.8
[M+Na-2H]- 314.12747 176.2
[M]+ 293.15225 170.8
[M]- 293.15335 170.8
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