CID 121447

Alazopeptin

Structural Information

Molecular Formula
C15H20N6O5
SMILES
C=CCNC(CCC(=O)C=[N+]=[N-])C(=O)NC(CCC(=O)C=[N+]=[N-])C(=O)O
InChI
InChI=1S/C15H20N6O5/c1-2-7-18-12(5-3-10(22)8-19-16)14(24)21-13(15(25)26)6-4-11(23)9-20-17/h2,8-9,12-13,18H,1,3-7H2,(H,21,24)(H,25,26)
InChIKey
LYUGICBKRYXVHJ-UHFFFAOYSA-N
Compound name
6-diazo-2-[[6-diazo-5-oxo-2-(prop-2-enylamino)hexanoyl]amino]-5-oxohexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

9207
Patents

364.1495 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.15678 224.0
[M+Na]+ 387.13872 238.9
[M-H]- 363.14222 235.6
[M+NH4]+ 382.18332 232.2
[M+K]+ 403.11266 231.5
[M+H-H2O]+ 347.14676 208.4
[M+HCOO]- 409.14770 227.5
[M+CH3COO]- 423.16335 213.5
[M+Na-2H]- 385.12417 217.8
[M]+ 364.14895 208.2
[M]- 364.15005 208.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe