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 182.7
[M+Na]+ 366.14645 190.8
[M-H]- 342.14995 193.2
[M+NH4]+ 361.19105 196.7
[M+K]+ 382.12039 187.1
[M+H-H2O]+ 326.15449 172.7
[M+HCOO]- 388.15543 204.6
[M+CH3COO]- 402.17108 194.2
[M+Na-2H]- 364.13190 189.7
[M]+ 343.15668 187.1
[M]- 343.15778 187.1
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.