CID 146683694

Nostosin c

Structural Information

Molecular Formula
C22H35N5O4
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C=O)NC(=O)CCCC1=CC=C(C=C1)O
InChI
InChI=1S/C22H35N5O4/c1-3-15(2)20(21(31)26-17(14-28)7-5-13-25-22(23)24)27-19(30)8-4-6-16-9-11-18(29)12-10-16/h9-12,14-15,17,20,29H,3-8,13H2,1-2H3,(H,26,31)(H,27,30)(H4,23,24,25)/t15-,17-,20-/m0/s1
InChIKey
QJGKRJNQRBRVMM-KNBMTAEXSA-N
Compound name
(2S,3S)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[4-(4-hydroxyphenyl)butanoylamino]-3-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.2689 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.27618 210.0
[M+Na]+ 456.25812 207.7
[M-H]- 432.26162 210.7
[M+NH4]+ 451.30272 216.7
[M+K]+ 472.23206 206.7
[M+H-H2O]+ 416.26616 200.0
[M+HCOO]- 478.26710 229.6
[M+CH3COO]- 492.28275 245.0
[M+Na-2H]- 454.24357 203.5
[M]+ 433.26835 207.8
[M]- 433.26945 207.8
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.