CID 44234

3-acridin-9-ylalanine

Structural Information

Molecular Formula
C16H14N2O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CC(C(=O)O)N
InChI
InChI=1S/C16H14N2O2/c17-13(16(19)20)9-12-10-5-1-3-7-14(10)18-15-8-4-2-6-11(12)15/h1-8,13H,9,17H2,(H,19,20)
InChIKey
TVENYZXWOKGGHI-UHFFFAOYSA-N
Compound name
3-acridin-9-yl-2-aminopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

266.10553 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 158.7
[M+Na]+ 289.09475 166.9
[M-H]- 265.09825 161.3
[M+NH4]+ 284.13935 174.5
[M+K]+ 305.06869 161.9
[M+H-H2O]+ 249.10279 151.0
[M+HCOO]- 311.10373 178.1
[M+CH3COO]- 325.11938 169.9
[M+Na-2H]- 287.08020 165.9
[M]+ 266.10498 158.7
[M]- 266.10608 158.7
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

patents stripe