CID 3044963

K 9904

Structural Information

Molecular Formula
C18H17NO3
SMILES
COC1=CC2=C(C=C1)C=CC3=C2C(=O)C=C(O3)N4CCCC4
InChI
InChI=1S/C18H17NO3/c1-21-13-6-4-12-5-7-16-18(14(12)10-13)15(20)11-17(22-16)19-8-2-3-9-19/h4-7,10-11H,2-3,8-9H2,1H3
InChIKey
BLLDPGVIJCWXCT-UHFFFAOYSA-N
Compound name
9-methoxy-3-pyrrolidin-1-ylbenzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

295.12085 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12813 165.6
[M+Na]+ 318.11007 175.9
[M-H]- 294.11357 174.1
[M+NH4]+ 313.15467 182.2
[M+K]+ 334.08401 172.0
[M+H-H2O]+ 278.11811 157.4
[M+HCOO]- 340.11905 185.9
[M+CH3COO]- 354.13470 178.3
[M+Na-2H]- 316.09552 171.2
[M]+ 295.12030 169.0
[M]- 295.12140 169.0
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

patents stripe