CID 17754134

3-(1,10-phenanthrol-2-yl)-l-alanine

Structural Information

Molecular Formula
C15H13N3O2
SMILES
C1=CC2=C(C3=C(C=C2)C=CC(=N3)C[C@@H](C(=O)O)N)N=C1
InChI
InChI=1S/C15H13N3O2/c16-12(15(19)20)8-11-6-5-10-4-3-9-2-1-7-17-13(9)14(10)18-11/h1-7,12H,8,16H2,(H,19,20)/t12-/m0/s1
InChIKey
LODBCIBKOKOGNL-LBPRGKRZSA-N
Compound name
(2S)-2-amino-3-(1,10-phenanthrolin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

267.10077 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 158.8
[M+Na]+ 290.08999 167.4
[M-H]- 266.09349 160.1
[M+NH4]+ 285.13459 173.2
[M+K]+ 306.06393 162.4
[M+H-H2O]+ 250.09803 150.4
[M+HCOO]- 312.09897 177.2
[M+CH3COO]- 326.11462 169.7
[M+Na-2H]- 288.07544 166.7
[M]+ 267.10022 159.0
[M]- 267.10132 159.0
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