CID 65793

Morocromen

Structural Information

Molecular Formula
C21H27N3O5
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)NC(=O)N3CCOCC3)CCN4CCOCC4
InChI
InChI=1S/C21H27N3O5/c1-15-17-3-2-16(22-21(26)24-8-12-28-13-9-24)14-19(17)29-20(25)18(15)4-5-23-6-10-27-11-7-23/h2-3,14H,4-13H2,1H3,(H,22,26)
InChIKey
BVXGJMKPMTXSFM-UHFFFAOYSA-N
Compound name
N-[4-methyl-3-(2-morpholin-4-ylethyl)-2-oxochromen-7-yl]morpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

43
Patents

401.19507 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.20235 199.5
[M+Na]+ 424.18429 202.6
[M-H]- 400.18779 207.5
[M+NH4]+ 419.22889 203.2
[M+K]+ 440.15823 201.9
[M+H-H2O]+ 384.19233 187.4
[M+HCOO]- 446.19327 209.3
[M+CH3COO]- 460.20892 206.3
[M+Na-2H]- 422.16974 201.0
[M]+ 401.19452 197.0
[M]- 401.19562 197.0
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

No patent data available for this compound.