CID 497885

Fqr-nh2

Structural Information

Molecular Formula
C20H32N8O4
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)N
InChI
InChI=1S/C20H32N8O4/c21-13(11-12-5-2-1-3-6-12)18(31)28-15(8-9-16(22)29)19(32)27-14(17(23)30)7-4-10-26-20(24)25/h1-3,5-6,13-15H,4,7-11,21H2,(H2,22,29)(H2,23,30)(H,27,32)(H,28,31)(H4,24,25,26)/t13-,14-,15-/m0/s1
InChIKey
LHSYPODSNKRVFJ-KKUMJFAQSA-N
Compound name
(2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]pentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

448.25464 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.26192 206.8
[M+Na]+ 471.24386 202.5
[M-H]- 447.24736 207.7
[M+NH4]+ 466.28846 211.3
[M+K]+ 487.21780 204.5
[M+H-H2O]+ 431.25190 195.7
[M+HCOO]- 493.25284 227.8
[M+CH3COO]- 507.26849 256.6
[M+Na-2H]- 469.22931 199.1
[M]+ 448.25409 198.5
[M]- 448.25519 198.5
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.