CID 125720

Fce-22716

Structural Information

Molecular Formula
C19H22N4O2
SMILES
CN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CN5CC(=O)NC5=O
InChI
InChI=1S/C19H22N4O2/c1-22-8-11(9-23-10-17(24)21-19(23)25)5-14-13-3-2-4-15-18(13)12(7-20-15)6-16(14)22/h2-4,7,11,14,16,20H,5-6,8-10H2,1H3,(H,21,24,25)/t11-,14-,16-/m1/s1
InChIKey
VXIHQTMCLKWCBN-DJSGYFEHSA-N
Compound name
1-[[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

338.1743 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18158 182.3
[M+Na]+ 361.16352 193.7
[M+NH4]+ 356.20812 189.3
[M+K]+ 377.13746 190.8
[M-H]- 337.16702 183.1
[M+Na-2H]- 359.14897 182.4
[M]+ 338.17375 183.8
[M]- 338.17485 183.8
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