CID 101696941

Marshmine

Structural Information

Molecular Formula
C20H21NO5
SMILES
CC(=C)C(CC1=C(C=C(C2=C1N(C3=C(C2=O)C=CC=C3O)C)O)OC)O
InChI
InChI=1S/C20H21NO5/c1-10(2)14(23)8-12-16(26-4)9-15(24)17-19(12)21(3)18-11(20(17)25)6-5-7-13(18)22/h5-7,9,14,22-24H,1,8H2,2-4H3
InChIKey
DBEWENVYSYATOB-UHFFFAOYSA-N
Compound name
1,5-dihydroxy-4-(2-hydroxy-3-methylbut-3-enyl)-3-methoxy-10-methylacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

355.14197 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14925 182.2
[M+Na]+ 378.13119 192.5
[M-H]- 354.13469 183.7
[M+NH4]+ 373.17579 194.6
[M+K]+ 394.10513 187.6
[M+H-H2O]+ 338.13923 174.9
[M+HCOO]- 400.14017 197.0
[M+CH3COO]- 414.15582 214.7
[M+Na-2H]- 376.11664 183.4
[M]+ 355.14142 187.2
[M]- 355.14252 187.2
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