CID 198041

Diaminogossypol

Structural Information

Molecular Formula
C30H32N2O8
SMILES
CC1=C(C(=C2C(=C(C(=C(C2=C1N)C(C)C)O)O)C=O)O)C3=C(C(=C4C(=C3O)C(=C(C(=C4C(C)C)O)O)C=O)N)C
InChI
InChI=1S/C30H32N2O8/c1-9(2)15-21-19(13(7-33)25(35)29(15)39)27(37)17(11(5)23(21)31)18-12(6)24(32)22-16(10(3)4)30(40)26(36)14(8-34)20(22)28(18)38/h7-10,35-40H,31-32H2,1-6H3
InChIKey
XAIGQYIRSXFPCB-UHFFFAOYSA-N
Compound name
5-amino-7-(4-amino-8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

548.2159 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.22318 240.8
[M+Na]+ 571.20512 252.7
[M+NH4]+ 566.24972 242.3
[M+K]+ 587.17906 229.0
[M-H]- 547.20862 242.6
[M+Na-2H]- 569.19057 242.6
[M]+ 548.21535 242.7
[M]- 548.21645 242.7
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.