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
3
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]+ 402.202346 199.5
[M+Na]+ 424.184288 202.6
[M-H]- 400.187794 207.5
[M+NH4]+ 419.228893 203.2
[M+K]+ 440.158228 201.9
[M+H-H2O]+ 384.192330 187.4
[M+HCOO]- 446.193271 209.3
[M+CH3COO]- 460.208921 206.3
[M+Na-2H]- 422.169736 201.0
[M]+ 401.19452142 197.0
[M]- 401.19561858 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

literature stripe

Patent stripe

patents stripe