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

25
Patents

267.10077 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.108046 158.8
[M+Na]+ 290.089988 167.4
[M-H]- 266.093494 160.1
[M+NH4]+ 285.134593 173.2
[M+K]+ 306.063928 162.4
[M+H-H2O]+ 250.098030 150.4
[M+HCOO]- 312.098971 177.2
[M+CH3COO]- 326.114621 169.7
[M+Na-2H]- 288.075436 166.7
[M]+ 267.10022142 159.0
[M]- 267.10131858 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