CID 374352

Nsc651923

Structural Information

Molecular Formula
C36H44N2O6
SMILES
CCCN=CC1=C(C(=C(C2=C1C(=C(C(=C2)C)C3=C(C4=C(C=C3C)C(=C(C(=C4C=NCCC)O)O)C(C)C)O)O)C(C)C)O)O
InChI
InChI=1S/C36H44N2O6/c1-9-11-37-15-23-29-21(25(17(3)4)35(43)31(23)39)13-19(7)27(33(29)41)28-20(8)14-22-26(18(5)6)36(44)32(40)24(16-38-12-10-2)30(22)34(28)42/h13-18,39-44H,9-12H2,1-8H3
InChIKey
KDUQILNNGDURPN-UHFFFAOYSA-N
Compound name
3-methyl-5-propan-2-yl-8-(propyliminomethyl)-2-[1,6,7-trihydroxy-3-methyl-5-propan-2-yl-8-(propyliminomethyl)naphthalen-2-yl]naphthalene-1,6,7-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

600.31995 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.32723 257.1
[M+Na]+ 623.30917 263.6
[M-H]- 599.31267 261.1
[M+NH4]+ 618.35377 260.0
[M+K]+ 639.28311 259.2
[M+H-H2O]+ 583.31721 247.1
[M+HCOO]- 645.31815 268.3
[M+CH3COO]- 659.33380 274.6
[M+Na-2H]- 621.29462 248.4
[M]+ 600.31940 264.7
[M]- 600.32050 264.7
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.