CID 22803149

81012-91-1

Structural Information

Molecular Formula
C16H16N2O4
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)NC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C16H16N2O4/c17-13(16(21)22)8-9-14(19)18-15(20)12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13H,8-9,17H2,(H,21,22)(H,18,19,20)/t13-/m0/s1
InChIKey
HBFLDCKOTCDLJS-ZDUSSCGKSA-N
Compound name
(2S)-2-amino-5-(naphthalene-1-carbonylamino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

300.111 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11828 168.0
[M+Na]+ 323.10022 171.9
[M-H]- 299.10372 170.1
[M+NH4]+ 318.14482 181.9
[M+K]+ 339.07416 169.4
[M+H-H2O]+ 283.10826 160.7
[M+HCOO]- 345.10920 187.4
[M+CH3COO]- 359.12485 206.4
[M+Na-2H]- 321.08567 169.7
[M]+ 300.11045 166.2
[M]- 300.11155 166.2
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