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 193.6
[M+Na]+ 405.17849 201.1
[M-H]- 381.18199 202.9
[M+NH4]+ 400.22309 203.5
[M+K]+ 421.15243 199.7
[M+H-H2O]+ 365.18653 182.5
[M+HCOO]- 427.18747 210.5
[M+CH3COO]- 441.20312 203.6
[M+Na-2H]- 403.16394 198.4
[M]+ 382.18872 198.7
[M]- 382.18982 198.7
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.