CID 171120611

Mutanamide

Structural Information

Molecular Formula
C19H34N2O5
SMILES
CCCCCCCC(=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O
InChI
InChI=1S/C19H34N2O5/c1-5-6-7-8-9-10-15(22)12-17(23)21-16(11-13(2)3)18(24)20-14(4)19(25)26/h13-14,16H,5-12H2,1-4H3,(H,20,24)(H,21,23)(H,25,26)/t14-,16-/m0/s1
InChIKey
IFXDDVMQZPFFIK-HOCLYGCPSA-N
Compound name
(2S)-2-[[(2S)-4-methyl-2-(3-oxodecanoylamino)pentanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.24677 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.25405 196.4
[M+Na]+ 393.23599 195.6
[M-H]- 369.23949 206.3
[M+NH4]+ 388.28059 209.9
[M+K]+ 409.20993 195.3
[M+H-H2O]+ 353.24403 189.1
[M+HCOO]- 415.24497 199.0
[M+CH3COO]- 429.26062 225.1
[M+Na-2H]- 391.22144 188.4
[M]+ 370.24622 198.2
[M]- 370.24732 198.2
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

No patent data available for this compound.