CID 96464

38660-35-4

Structural Information

Molecular Formula
C34H35N3O2
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=CC=C6
InChI
InChI=1S/C34H35N3O2/c1-5-35(6-2)25-18-20-29-31(22-25)39-32-23-26(36(7-3)8-4)19-21-30(32)34(29)28-17-13-12-16-27(28)33(38)37(34)24-14-10-9-11-15-24/h9-23H,5-8H2,1-4H3
InChIKey
IMYNRKANUSOMGU-UHFFFAOYSA-N
Compound name
3',6'-bis(diethylamino)-2-phenylspiro[isoindole-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

169
Patents

517.27295 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.28023 232.8
[M+Na]+ 540.26217 248.6
[M+NH4]+ 535.30677 242.9
[M+K]+ 556.23611 237.5
[M-H]- 516.26567 243.2
[M+Na-2H]- 538.24762 240.3
[M]+ 517.27240 238.5
[M]- 517.27350 238.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe