CID 3078515

1-((6-methyl-delta-9,10-ergolen-8-beta-yl)methyl)-2,4(1h,3h)-dihydropyrimidinedione n6-oxide

Structural Information

Molecular Formula
C20H20N4O3
SMILES
C[N+]1(C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)CN5C=CC(=O)NC5=O)[O-]
InChI
InChI=1S/C20H20N4O3/c1-24(27)11-12(10-23-6-5-18(25)22-20(23)26)7-15-14-3-2-4-16-19(14)13(9-21-16)8-17(15)24/h2-7,9,12,17,21H,8,10-11H2,1H3,(H,22,25,26)/t12-,17+,24?/m0/s1
InChIKey
AGIGDXIBVLOVGS-MRWNPYHFSA-N
Compound name
1-[[(6aR,9S)-7-methyl-7-oxido-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-7-ium-9-yl]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

364.15353 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16081 185.3
[M+Na]+ 387.14275 202.2
[M+NH4]+ 382.18735 193.9
[M+K]+ 403.11669 196.0
[M-H]- 363.14625 188.3
[M+Na-2H]- 385.12820 190.3
[M]+ 364.15298 188.6
[M]- 364.15408 188.6
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

patents stripe