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

0
Patents

295.12085 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.128126 165.6
[M+Na]+ 318.110068 175.9
[M-H]- 294.113574 174.1
[M+NH4]+ 313.154673 182.2
[M+K]+ 334.084008 172.0
[M+H-H2O]+ 278.118110 157.4
[M+HCOO]- 340.119051 185.9
[M+CH3COO]- 354.134701 178.3
[M+Na-2H]- 316.095516 171.2
[M]+ 295.12030142 169.0
[M]- 295.12139858 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