CID 49844330

Termitomycamide d

Structural Information

Molecular Formula
C24H44N2O3
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)NCCCNCCC(=O)O
InChI
InChI=1S/C24H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23(27)26-21-17-20-25-22-19-24(28)29/h6-7,9-10,25H,2-5,8,11-22H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-
InChIKey
IAORULDJULCWPV-HZJYTTRNSA-N
Compound name
3-[3-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]propylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.3352 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.34248 210.8
[M+Na]+ 431.32442 209.1
[M-H]- 407.32792 206.4
[M+NH4]+ 426.36902 221.7
[M+K]+ 447.29836 203.5
[M+H-H2O]+ 391.33246 202.2
[M+HCOO]- 453.33340 229.8
[M+CH3COO]- 467.34905 230.7
[M+Na-2H]- 429.30987 206.2
[M]+ 408.33465 215.2
[M]- 408.33575 215.2
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.