CID 10226758

Palmitoyl carnosine

Structural Information

Molecular Formula
C25H44N4O4
SMILES
CCCCCCCCCCCCCCCC(=O)NCCC(=O)N[C@@H](CC1=CN=CN1)C(=O)O
InChI
InChI=1S/C25H44N4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(30)27-17-16-24(31)29-22(25(32)33)18-21-19-26-20-28-21/h19-20,22H,2-18H2,1H3,(H,26,28)(H,27,30)(H,29,31)(H,32,33)/t22-/m0/s1
InChIKey
LNXLHAWHHNDIDC-QFIPXVFZSA-N
Compound name
(2S)-2-[3-(hexadecanoylamino)propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

305
Patents

464.33624 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.34352 220.6
[M+Na]+ 487.32546 217.6
[M-H]- 463.32896 216.0
[M+NH4]+ 482.37006 225.3
[M+K]+ 503.29940 213.2
[M+H-H2O]+ 447.33350 209.9
[M+HCOO]- 509.33444 234.5
[M+CH3COO]- 523.35009 236.9
[M+Na-2H]- 485.31091 214.2
[M]+ 464.33569 223.5
[M]- 464.33679 223.5
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