CID 3040344

K 8402

Structural Information

Molecular Formula
C19H21NO2
SMILES
CC(C)N(C1=CC(=O)C2=C(O1)C=CC3=CC=CC=C32)C(C)C
InChI
InChI=1S/C19H21NO2/c1-12(2)20(13(3)4)18-11-16(21)19-15-8-6-5-7-14(15)9-10-17(19)22-18/h5-13H,1-4H3
InChIKey
VLUYDNMXTSQQIO-UHFFFAOYSA-N
Compound name
3-[di(propan-2-yl)amino]benzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

295.15723 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 169.4
[M+Na]+ 318.14645 177.9
[M-H]- 294.14995 177.2
[M+NH4]+ 313.19105 186.1
[M+K]+ 334.12039 176.0
[M+H-H2O]+ 278.15449 161.4
[M+HCOO]- 340.15543 190.6
[M+CH3COO]- 354.17108 213.2
[M+Na-2H]- 316.13190 175.2
[M]+ 295.15668 174.8
[M]- 295.15778 174.8
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