CID 259699

Nsc89850

Structural Information

Molecular Formula
C42H58N2O7
SMILES
CCCCCCCCCCCC1=C(C(=O)C2=C(C1=O)OC3=C(N2C4=CC=C(C=C4)N(C)C)C(=O)C(=C(C3=O)CCCCCCCCCCC)O)O
InChI
InChI=1S/C42H58N2O7/c1-5-7-9-11-13-15-17-19-21-23-31-35(45)39(49)33-41(37(31)47)51-42-34(44(33)30-27-25-29(26-28-30)43(3)4)40(50)36(46)32(38(42)48)24-22-20-18-16-14-12-10-8-6-2/h25-28,45-46H,5-24H2,1-4H3
InChIKey
VJOBOOHGRTUVAG-UHFFFAOYSA-N
Compound name
10-[4-(dimethylamino)phenyl]-2,8-dihydroxy-3,7-di(undecyl)phenoxazine-1,4,6,9-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

702.4244 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 703.43168 287.1
[M+Na]+ 725.41362 291.1
[M-H]- 701.41712 291.9
[M+NH4]+ 720.45822 284.1
[M+K]+ 741.38756 285.6
[M+H-H2O]+ 685.42166 272.6
[M+HCOO]- 747.42260 298.9
[M+CH3COO]- 761.43825 291.1
[M+Na-2H]- 723.39907 279.4
[M]+ 702.42385 302.4
[M]- 702.42495 302.4
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.