CID 3041764

Brn 1166861

Structural Information

Molecular Formula
C22H26N2O4
SMILES
CCN(C)C1=C(C(=O)C2=C(O1)C=CC3=C2C=C(C=C3)OC)CN4CCOCC4
InChI
InChI=1S/C22H26N2O4/c1-4-23(2)22-18(14-24-9-11-27-12-10-24)21(25)20-17-13-16(26-3)7-5-15(17)6-8-19(20)28-22/h5-8,13H,4,9-12,14H2,1-3H3
InChIKey
OPBKOHZJFXYSGS-UHFFFAOYSA-N
Compound name
3-[ethyl(methyl)amino]-9-methoxy-2-(morpholin-4-ylmethyl)benzo[f]chromen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.18927 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19655 191.8
[M+Na]+ 405.17849 207.6
[M+NH4]+ 400.22309 199.6
[M+K]+ 421.15243 199.8
[M-H]- 381.18199 200.1
[M+Na-2H]- 403.16394 197.6
[M]+ 382.18872 196.6
[M]- 382.18982 196.6
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.