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

928
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

literature stripe

Patent stripe

patents stripe