CID 146683695

Nostosin d

Structural Information

Molecular Formula
C21H33N5O5
SMILES
CC(C)C(C(=O)N[C@@H](CCCN=C(N)N)C=O)NC(=O)C(CCC1=CC=C(C=C1)O)O
InChI
InChI=1S/C21H33N5O5/c1-13(2)18(20(31)25-15(12-27)4-3-11-24-21(22)23)26-19(30)17(29)10-7-14-5-8-16(28)9-6-14/h5-6,8-9,12-13,15,17-18,28-29H,3-4,7,10-11H2,1-2H3,(H,25,31)(H,26,30)(H4,22,23,24)/t15-,17?,18?/m0/s1
InChIKey
GIWXUZBXVFQIOQ-ZLPCBKJTSA-N
Compound name
N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.24817 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.25545 208.0
[M+Na]+ 458.23739 205.3
[M-H]- 434.24089 207.5
[M+NH4]+ 453.28199 213.7
[M+K]+ 474.21133 205.4
[M+H-H2O]+ 418.24543 198.4
[M+HCOO]- 480.24637 225.6
[M+CH3COO]- 494.26202 243.4
[M+Na-2H]- 456.22284 200.5
[M]+ 435.24762 204.4
[M]- 435.24872 204.4
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.