CID 271879

Nsc115863

Structural Information

Molecular Formula
C50H43NO8
SMILES
CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C(=C4C(=C3O)C(=C(C(=C4C(C)C)O)O)C=O)N(C5=CC=CC6=CC=CC=C65)C7=CC=CC8=CC=CC=C87)C)O
InChI
InChI=1S/C50H43NO8/c1-24(2)37-32-21-26(5)39(47(56)41(32)33(22-52)45(54)49(37)58)40-27(6)44(43-38(25(3)4)50(59)46(55)34(23-53)42(43)48(40)57)51(35-19-11-15-28-13-7-9-17-30(28)35)36-20-12-16-29-14-8-10-18-31(29)36/h7-25,54-59H,1-6H3
InChIKey
IXJQRWUUXJNAMY-UHFFFAOYSA-N
Compound name
5-(dinaphthalen-1-ylamino)-7-(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

785.2989 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 786.30618 267.8
[M+Na]+ 808.28812 282.4
[M-H]- 784.29162 273.4
[M+NH4]+ 803.33272 275.4
[M+K]+ 824.26206 266.7
[M+H-H2O]+ 768.29616 253.0
[M+HCOO]- 830.29710 276.5
[M+CH3COO]- 844.31275 279.4
[M+Na-2H]- 806.27357 293.3
[M]+ 785.29835 310.8
[M]- 785.29945 310.8
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.