CID 497858

Fggr-nh2

Structural Information

Molecular Formula
C19H30N8O4
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N)N
InChI
InChI=1S/C19H30N8O4/c20-13(9-12-5-2-1-3-6-12)18(31)26-10-15(28)25-11-16(29)27-14(17(21)30)7-4-8-24-19(22)23/h1-3,5-6,13-14H,4,7-11,20H2,(H2,21,30)(H,25,28)(H,26,31)(H,27,29)(H4,22,23,24)/t13-,14-/m0/s1
InChIKey
DUUCSQHCEBSYLA-KBPBESRZSA-N
Compound name
(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

434.239 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.24628 201.5
[M+Na]+ 457.22822 197.8
[M-H]- 433.23172 203.0
[M+NH4]+ 452.27282 206.9
[M+K]+ 473.20216 199.4
[M+H-H2O]+ 417.23626 190.4
[M+HCOO]- 479.23720 224.4
[M+CH3COO]- 493.25285 252.6
[M+Na-2H]- 455.21367 196.5
[M]+ 434.23845 194.3
[M]- 434.23955 194.3
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

No patent data available for this compound.