CID 202100

Hydroteleocidin b amine

Structural Information

Molecular Formula
C28H43N3O2
SMILES
CCC1(CCC(C2=CC3=C4C(=CNC4=C21)CC(COC(=O)C(N3C)C(C)C)N)(C)C(C)C)C
InChI
InChI=1S/C28H43N3O2/c1-9-27(6)10-11-28(7,17(4)5)20-13-21-22-18(14-30-24(22)23(20)27)12-19(29)15-33-26(32)25(16(2)3)31(21)8/h13-14,16-17,19,25,30H,9-12,15,29H2,1-8H3
InChIKey
QBRXWCIFOZNNSM-UHFFFAOYSA-N
Compound name
14-amino-7-ethyl-4,7,19-trimethyl-4,18-di(propan-2-yl)-16-oxa-10,19-diazatetracyclo[10.7.1.03,8.09,20]icosa-1(20),2,8,11-tetraen-17-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.33554 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.34282 213.5
[M+Na]+ 476.32476 223.3
[M+NH4]+ 471.36936 221.6
[M+K]+ 492.29870 215.1
[M-H]- 452.32826 216.0
[M+Na-2H]- 474.31021 213.7
[M]+ 453.33499 215.6
[M]- 453.33609 215.6
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.