CID 288122

Muramine

Structural Information

Molecular Formula
C22H27NO5
SMILES
CN1CCC2=CC(=C(C=C2C(=O)CC3=C(C1)C(=C(C=C3)OC)OC)OC)OC
InChI
InChI=1S/C22H27NO5/c1-23-9-8-15-11-20(26-3)21(27-4)12-16(15)18(24)10-14-6-7-19(25-2)22(28-5)17(14)13-23/h6-7,11-12H,8-10,13H2,1-5H3
InChIKey
HUIJAZQRYSCNED-UHFFFAOYSA-N
Compound name
3,4,10,11-tetramethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

511
Patents

385.18893 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.19621 190.1
[M+Na]+ 408.17815 198.6
[M-H]- 384.18165 191.8
[M+NH4]+ 403.22275 200.6
[M+K]+ 424.15209 196.4
[M+H-H2O]+ 368.18619 184.5
[M+HCOO]- 430.18713 206.0
[M+CH3COO]- 444.20278 220.7
[M+Na-2H]- 406.16360 190.8
[M]+ 385.18838 194.0
[M]- 385.18948 194.0
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