CID 199507

Lysergic acid morpholide

Structural Information

Molecular Formula
C20H23N3O2
SMILES
CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N5CCOCC5
InChI
InChI=1S/C20H23N3O2/c1-22-12-14(20(24)23-5-7-25-8-6-23)9-16-15-3-2-4-17-19(15)13(11-21-17)10-18(16)22/h2-4,9,11,14,18,21H,5-8,10,12H2,1H3/t14-,18-/m1/s1
InChIKey
OTQWCDNEJVKXKG-RDTXWAMCSA-N
Compound name
[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

337.17902 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18630 180.3
[M+Na]+ 360.16824 186.0
[M-H]- 336.17174 183.0
[M+NH4]+ 355.21284 192.2
[M+K]+ 376.14218 180.4
[M+H-H2O]+ 320.17628 169.8
[M+HCOO]- 382.17722 188.2
[M+CH3COO]- 396.19287 188.1
[M+Na-2H]- 358.15369 181.7
[M]+ 337.17847 176.1
[M]- 337.17957 176.1
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