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]+ 280.133196 162.5
[M+Na]+ 302.115138 173.1
[M-H]- 278.118644 171.1
[M+NH4]+ 297.159743 180.0
[M+K]+ 318.089078 168.5
[M+H-H2O]+ 262.123180 154.5
[M+HCOO]- 324.124121 182.7
[M+CH3COO]- 338.139771 175.5
[M+Na-2H]- 300.100586 168.0
[M]+ 279.12537142 164.5
[M]- 279.12646858 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.