CID 15286413

Junosine

Structural Information

Molecular Formula
C19H19NO4
SMILES
CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(N2C)C(=CC=C3)O)O)C
InChI
InChI=1S/C19H19NO4/c1-10(2)7-8-11-15(22)9-13-16(18(11)23)19(24)12-5-4-6-14(21)17(12)20(13)3/h4-7,9,21-23H,8H2,1-3H3
InChIKey
YDKCXKMKJZNVHQ-UHFFFAOYSA-N
Compound name
1,3,5-trihydroxy-10-methyl-2-(3-methylbut-2-enyl)acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1314 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 175.5
[M+Na]+ 348.12062 187.0
[M-H]- 324.12412 177.2
[M+NH4]+ 343.16522 189.5
[M+K]+ 364.09456 180.9
[M+H-H2O]+ 308.12866 168.5
[M+HCOO]- 370.12960 191.6
[M+CH3COO]- 384.14525 207.8
[M+Na-2H]- 346.10607 178.2
[M]+ 325.13085 179.3
[M]- 325.13195 179.3
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