CID 54699389

K 8154

Structural Information

Molecular Formula
C29H21NO5
SMILES
CN(C)C1=C(C(=O)C2=C(O1)C=CC3=CC=CC=C32)CC4=C(C5=C(C=CC6=CC=CC=C65)OC4=O)O
InChI
InChI=1S/C29H21NO5/c1-30(2)28-20(26(31)24-18-9-5-3-7-16(18)11-13-22(24)34-28)15-21-27(32)25-19-10-6-4-8-17(19)12-14-23(25)35-29(21)33/h3-14,32H,15H2,1-2H3
InChIKey
BOBHNIXVVQHQMU-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-2-[(1-hydroxy-3-oxobenzo[f]chromen-2-yl)methyl]benzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.14197 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.14925 214.5
[M+Na]+ 486.13119 226.4
[M-H]- 462.13469 227.2
[M+NH4]+ 481.17579 223.4
[M+K]+ 502.10513 223.5
[M+H-H2O]+ 446.13923 201.7
[M+HCOO]- 508.14017 232.7
[M+CH3COO]- 522.15582 224.6
[M+Na-2H]- 484.11664 221.8
[M]+ 463.14142 223.6
[M]- 463.14252 223.6
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

No patent data available for this compound.