CID 65898

Fce-23884

Structural Information

Molecular Formula
C20H22N4O2
SMILES
CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)CN5CC(=O)NC(=O)C5
InChI
InChI=1S/C20H22N4O2/c1-23-8-12(9-24-10-18(25)22-19(26)11-24)5-15-14-3-2-4-16-20(14)13(7-21-16)6-17(15)23/h2-5,7,12,17,21H,6,8-11H2,1H3,(H,22,25,26)/t12-,17-/m1/s1
InChIKey
RJCXNCSJGRUWRW-SJKOYZFVSA-N
Compound name
4-[[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]piperazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

95
Patents

350.1743 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18158 187.0
[M+Na]+ 373.16352 194.3
[M-H]- 349.16702 187.1
[M+NH4]+ 368.20812 198.0
[M+K]+ 389.13746 185.8
[M+H-H2O]+ 333.17156 176.3
[M+HCOO]- 395.17250 194.0
[M+CH3COO]- 409.18815 193.9
[M+Na-2H]- 371.14897 187.3
[M]+ 350.17375 181.9
[M]- 350.17485 181.9
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