CID 389244

Nsc684997

Structural Information

Molecular Formula
C24H18N2O2S
SMILES
CN(C)C1=CC=C(C=C1)C2=NC(=CS2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O
InChI
InChI=1S/C24H18N2O2S/c1-26(2)17-10-7-16(8-11-17)23-25-21(14-29-23)20-13-19-18-6-4-3-5-15(18)9-12-22(19)28-24(20)27/h3-14H,1-2H3
InChIKey
OHBURKFGNGOZIM-UHFFFAOYSA-N
Compound name
2-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]benzo[f]chromen-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1089 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.11618 195.1
[M+Na]+ 421.09812 206.8
[M-H]- 397.10162 208.7
[M+NH4]+ 416.14272 208.4
[M+K]+ 437.07206 201.5
[M+H-H2O]+ 381.10616 185.9
[M+HCOO]- 443.10710 214.0
[M+CH3COO]- 457.12275 206.9
[M+Na-2H]- 419.08357 198.7
[M]+ 398.10835 202.7
[M]- 398.10945 202.7
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.