CID 6451081

Nsc328209

Structural Information

Molecular Formula
C21H29N3O5
SMILES
C/C=C(\C)/CNC1=C(C(=O)C2C(C1=O)[C@H]([C@@]3(N2C[C@H]4[C@@H]3N4)OC)COC(=O)C)C
InChI
InChI=1S/C21H29N3O5/c1-6-10(2)7-22-16-11(3)18(26)17-15(19(16)27)13(9-29-12(4)25)21(28-5)20-14(23-20)8-24(17)21/h6,13-15,17,20,22-23H,7-9H2,1-5H3/b10-6+/t13-,14+,15?,17?,20+,21-/m1/s1
InChIKey
JEXXJESUEUYYMB-WRPNAVQASA-N
Compound name
[(4S,6S,7R,8S)-7-methoxy-12-methyl-11-[[(E)-2-methylbut-2-enyl]amino]-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-11-en-8-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.21072 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.21800 200.7
[M+Na]+ 426.19994 209.5
[M-H]- 402.20344 203.0
[M+NH4]+ 421.24454 212.3
[M+K]+ 442.17388 202.3
[M+H-H2O]+ 386.20798 197.0
[M+HCOO]- 448.20892 211.2
[M+CH3COO]- 462.22457 229.3
[M+Na-2H]- 424.18539 196.6
[M]+ 403.21017 206.5
[M]- 403.21127 206.5
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.