CID 102445136

4om34ko250

Structural Information

Molecular Formula
C23H28N4O2
SMILES
CN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CC(C#N)C(=O)N5CCOCC5
InChI
InChI=1S/C23H28N4O2/c1-26-14-15(9-16(12-24)23(28)27-5-7-29-8-6-27)10-19-18-3-2-4-20-22(18)17(13-25-20)11-21(19)26/h2-4,13,15-16,19,21,25H,5-11,14H2,1H3/t15-,16?,19-,21-/m1/s1
InChIKey
GECUXTDURWREIG-NRVIHDJLSA-N
Compound name
2-[[(6aR,9S,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-3-morpholin-4-yl-3-oxopropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.22122 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.22850 191.6
[M+Na]+ 415.21044 197.8
[M-H]- 391.21394 191.3
[M+NH4]+ 410.25504 199.5
[M+K]+ 431.18438 187.6
[M+H-H2O]+ 375.21848 174.6
[M+HCOO]- 437.21942 193.9
[M+CH3COO]- 451.23507 196.1
[M+Na-2H]- 413.19589 189.8
[M]+ 392.22067 181.5
[M]- 392.22177 181.5
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

No patent data available for this compound.