CID 148741

Glycine, n-9-acridinyl-

Structural Information

Molecular Formula
C15H12N2O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCC(=O)O
InChI
InChI=1S/C15H12N2O2/c18-14(19)9-16-15-10-5-1-3-7-12(10)17-13-8-4-2-6-11(13)15/h1-8H,9H2,(H,16,17)(H,18,19)
InChIKey
KWTFIXMUBIMLGT-UHFFFAOYSA-N
Compound name
2-(acridin-9-ylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

48
Patents

252.08987 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09715 153.0
[M+Na]+ 275.07909 161.9
[M-H]- 251.08259 156.2
[M+NH4]+ 270.12369 169.7
[M+K]+ 291.05303 156.9
[M+H-H2O]+ 235.08713 145.2
[M+HCOO]- 297.08807 174.4
[M+CH3COO]- 311.10372 165.0
[M+Na-2H]- 273.06454 163.0
[M]+ 252.08932 154.2
[M]- 252.09042 154.2
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