CID 349146

Nsc408718

Structural Information

Molecular Formula
C54H48N2O6
SMILES
CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NC3=CC=C(C=C3)C4=CC=CC=C4)C(=C1C5=C(C6=C(C=C5C)C(=C(C(=C6C=NC7=CC=C(C=C7)C8=CC=CC=C8)O)O)C(C)C)O)O
InChI
InChI=1S/C54H48N2O6/c1-29(2)43-39-25-31(5)45(51(59)47(39)41(49(57)53(43)61)27-55-37-21-17-35(18-22-37)33-13-9-7-10-14-33)46-32(6)26-40-44(30(3)4)54(62)50(58)42(48(40)52(46)60)28-56-38-23-19-36(20-24-38)34-15-11-8-12-16-34/h7-30,57-62H,1-6H3
InChIKey
VBQPGYHKJUYQII-UHFFFAOYSA-N
Compound name
3-methyl-8-[(4-phenylphenyl)iminomethyl]-5-propan-2-yl-2-[1,6,7-trihydroxy-3-methyl-8-[(4-phenylphenyl)iminomethyl]-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

820.35126 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 821.35854 304.5
[M+Na]+ 843.34048 306.2
[M-H]- 819.34398 317.8
[M+NH4]+ 838.38508 295.2
[M+K]+ 859.31442 302.8
[M+H-H2O]+ 803.34852 286.2
[M+HCOO]- 865.34946 311.8
[M+CH3COO]- 879.36511 303.3
[M+Na-2H]- 841.32593 300.2
[M]+ 820.35071 306.1
[M]- 820.35181 306.1
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.