CID 92910

Melanostatin

Structural Information

Molecular Formula
C13H24N4O3
SMILES
CC(C)C[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1
InChI
InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
InChIKey
NOOJLZTTWSNHOX-UWVGGRQHSA-N
Compound name
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

529
References

1298
Patents

284.18484 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.19212 170.5
[M+Na]+ 307.17406 170.3
[M-H]- 283.17756 169.5
[M+NH4]+ 302.21866 183.7
[M+K]+ 323.14800 169.5
[M+H-H2O]+ 267.18210 162.4
[M+HCOO]- 329.18304 187.4
[M+CH3COO]- 343.19869 205.9
[M+Na-2H]- 305.15951 166.2
[M]+ 284.18429 163.7
[M]- 284.18539 163.7
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.