CID 120150

29199-09-5

Structural Information

Molecular Formula
C34H34N4O4
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CC)CC)C5=CC=CC=C5C(=O)N3C6=CC=C(C=C6)[N+](=O)[O-]
InChI
InChI=1S/C34H34N4O4/c1-5-35(6-2)25-17-19-29-31(21-25)42-32-22-26(36(7-3)8-4)18-20-30(32)34(29)28-12-10-9-11-27(28)33(39)37(34)23-13-15-24(16-14-23)38(40)41/h9-22H,5-8H2,1-4H3
InChIKey
XZXFZILEZWXEND-UHFFFAOYSA-N
Compound name
3',6'-bis(diethylamino)-2-(4-nitrophenyl)spiro[isoindole-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

562.258 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.26528 239.2
[M+Na]+ 585.24722 254.2
[M+NH4]+ 580.29182 247.8
[M+K]+ 601.22116 247.0
[M-H]- 561.25072 249.9
[M+Na-2H]- 583.23267 245.5
[M]+ 562.25745 244.6
[M]- 562.25855 244.6
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

patents stripe