CID 3040342

K 8407

Structural Information

Molecular Formula
C23H21NO2
SMILES
CC(C)N(CC1=CC=CC=C1)C2=CC(=O)C3=C(O2)C=CC4=CC=CC=C43
InChI
InChI=1S/C23H21NO2/c1-16(2)24(15-17-8-4-3-5-9-17)22-14-20(25)23-19-11-7-6-10-18(19)12-13-21(23)26-22/h3-14,16H,15H2,1-2H3
InChIKey
SFQOERHGEDBDBK-UHFFFAOYSA-N
Compound name
3-[benzyl(propan-2-yl)amino]benzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.15723 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.16451 181.3
[M+Na]+ 366.14645 199.5
[M+NH4]+ 361.19105 191.2
[M+K]+ 382.12039 189.6
[M-H]- 342.14995 190.4
[M+Na-2H]- 364.13190 191.7
[M]+ 343.15668 187.0
[M]- 343.15778 187.0
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.