CID 4418609

75690-75-4

Structural Information

Molecular Formula
C19H36N8O4
SMILES
CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)N
InChI
InChI=1S/C19H36N8O4/c1-11(2)9-12(20)16(29)26-13(5-3-7-24-19(22)23)18(31)27-8-4-6-14(27)17(30)25-10-15(21)28/h11-14H,3-10,20H2,1-2H3,(H2,21,28)(H,25,30)(H,26,29)(H4,22,23,24)
InChIKey
JQESMPDJSXFGSA-UHFFFAOYSA-N
Compound name
1-[2-[(2-amino-4-methylpentanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

440.28595 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.29323 206.1
[M+Na]+ 463.27517 201.7
[M-H]- 439.27867 206.5
[M+NH4]+ 458.31977 212.4
[M+K]+ 479.24911 204.0
[M+H-H2O]+ 423.28321 195.8
[M+HCOO]- 485.28415 224.0
[M+CH3COO]- 499.29980 252.4
[M+Na-2H]- 461.26062 196.2
[M]+ 440.28540 197.9
[M]- 440.28650 197.9
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.