CID 133971

Bisucaberin

Structural Information

Molecular Formula
C18H32N4O6
SMILES
C1CCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CC1)O)O
InChI
InChI=1S/C18H32N4O6/c23-15-7-10-18(26)22(28)14-6-2-4-12-20-16(24)8-9-17(25)21(27)13-5-1-3-11-19-15/h27-28H,1-14H2,(H,19,23)(H,20,24)
InChIKey
GTADQMQBQBOJIO-UHFFFAOYSA-N
Compound name
1,12-dihydroxy-1,6,12,17-tetrazacyclodocosane-2,5,13,16-tetrone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

1207
Patents

400.23218 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.23946 197.4
[M+Na]+ 423.22140 197.7
[M-H]- 399.22490 189.9
[M+NH4]+ 418.26600 196.1
[M+K]+ 439.19534 193.8
[M+H-H2O]+ 383.22944 192.1
[M+HCOO]- 445.23038 197.9
[M+CH3COO]- 459.24603 200.3
[M+Na-2H]- 421.20685 190.4
[M]+ 400.23163 178.7
[M]- 400.23273 178.7
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.