CID 109425

Spiro[isobenzofuran-1(3h),9'-[9h]xanthen]-3-one, 2'-[(2-chlorophenyl)amino]-6'-(diethylamino)-

Structural Information

Molecular Formula
C30H25ClN2O3
SMILES
CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)NC6=CC=CC=C6Cl
InChI
InChI=1S/C30H25ClN2O3/c1-3-33(4-2)20-14-15-23-28(18-20)35-27-16-13-19(32-26-12-8-7-11-25(26)31)17-24(27)30(23)22-10-6-5-9-21(22)29(34)36-30/h5-18,32H,3-4H2,1-2H3
InChIKey
LRQZDCOOTPXRKM-UHFFFAOYSA-N
Compound name
2'-(2-chloroanilino)-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

496.15536 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.16264 222.8
[M+Na]+ 519.14458 231.8
[M-H]- 495.14808 236.1
[M+NH4]+ 514.18918 234.6
[M+K]+ 535.11852 226.7
[M+H-H2O]+ 479.15262 211.9
[M+HCOO]- 541.15356 235.9
[M+CH3COO]- 555.16921 231.6
[M+Na-2H]- 517.13003 225.7
[M]+ 496.15481 228.9
[M]- 496.15591 228.9
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