CID 11855233

Iparzine-4a

Structural Information

Molecular Formula
C21H39NO5
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](CC(=O)OC)C(=O)O
InChI
InChI=1S/C21H39NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(23)22-18(21(25)26)17-20(24)27-2/h18H,3-17H2,1-2H3,(H,22,23)(H,25,26)/t18-/m0/s1
InChIKey
PVSAGTNAPZZBEC-SFHVURJKSA-N
Compound name
(2S)-2-(hexadecanoylamino)-4-methoxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

385.28284 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.29012 202.8
[M+Na]+ 408.27206 202.2
[M-H]- 384.27556 199.0
[M+NH4]+ 403.31666 211.7
[M+K]+ 424.24600 200.1
[M+H-H2O]+ 368.28010 195.0
[M+HCOO]- 430.28104 212.4
[M+CH3COO]- 444.29669 223.7
[M+Na-2H]- 406.25751 197.0
[M]+ 385.28229 209.3
[M]- 385.28339 209.3
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