CID 3052511

K 12421

Structural Information

Molecular Formula
C18H17NO2
SMILES
CC1=C2C(=CC3=CC=CC=C13)C(=O)C=C(O2)N4CCCC4
InChI
InChI=1S/C18H17NO2/c1-12-14-7-3-2-6-13(14)10-15-16(20)11-17(21-18(12)15)19-8-4-5-9-19/h2-3,6-7,10-11H,4-5,8-9H2,1H3
InChIKey
DVTYPRVCJXBFKX-UHFFFAOYSA-N
Compound name
10-methyl-2-pyrrolidin-1-ylbenzo[g]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12592 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 162.5
[M+Na]+ 302.11514 173.1
[M-H]- 278.11864 171.1
[M+NH4]+ 297.15974 180.0
[M+K]+ 318.08908 168.5
[M+H-H2O]+ 262.12318 154.5
[M+HCOO]- 324.12412 182.7
[M+CH3COO]- 338.13977 175.5
[M+Na-2H]- 300.10059 168.0
[M]+ 279.12537 164.5
[M]- 279.12647 164.5
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.