CID 446965

3-{[(9-cyano-9,10-dihydro-10-methylacridin-9-yl)carbonyl]amino}propanoic acid

Structural Information

Molecular Formula
C19H17N3O3
SMILES
CN1C2=CC=CC=C2C(C3=CC=CC=C31)(C#N)C(=O)NCCC(=O)O
InChI
InChI=1S/C19H17N3O3/c1-22-15-8-4-2-6-13(15)19(12-20,14-7-3-5-9-16(14)22)18(25)21-11-10-17(23)24/h2-9H,10-11H2,1H3,(H,21,25)(H,23,24)
InChIKey
FRBAOMHMZCGBOJ-UHFFFAOYSA-N
Compound name
3-[(9-cyano-10-methylacridine-9-carbonyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

335.12698 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.134256 183.8
[M+Na]+ 358.116198 193.4
[M-H]- 334.119704 185.1
[M+NH4]+ 353.160803 197.2
[M+K]+ 374.090138 185.5
[M+H-H2O]+ 318.124240 169.7
[M+HCOO]- 380.125181 196.9
[M+CH3COO]- 394.140831 221.1
[M+Na-2H]- 356.101646 187.7
[M]+ 335.12643142 178.7
[M]- 335.12752858 178.7
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