CID 138376559

((2e,4e,7z)-deca-2,4,7-trienoyl)-l-glutamine

Structural Information

Molecular Formula
C15H22N2O4
SMILES
CC/C=C\C/C=C/C=C/C(=O)N[C@@H](CCC(=O)N)C(=O)O
InChI
InChI=1S/C15H22N2O4/c1-2-3-4-5-6-7-8-9-14(19)17-12(15(20)21)10-11-13(16)18/h3-4,6-9,12H,2,5,10-11H2,1H3,(H2,16,18)(H,17,19)(H,20,21)/b4-3-,7-6+,9-8+/t12-/m0/s1
InChIKey
MFDQKHCMUMALFO-BQCLUSRISA-N
Compound name
(2S)-5-amino-2-[[(2E,4E,7Z)-deca-2,4,7-trienoyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.15796 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16524 173.5
[M+Na]+ 317.14718 175.7
[M-H]- 293.15068 170.5
[M+NH4]+ 312.19178 186.8
[M+K]+ 333.12112 172.4
[M+H-H2O]+ 277.15522 166.7
[M+HCOO]- 339.15616 192.4
[M+CH3COO]- 353.17181 204.9
[M+Na-2H]- 315.13263 169.9
[M]+ 294.15741 172.1
[M]- 294.15851 172.1
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.