CID 442072

Lysergamide

Structural Information

Molecular Formula
C16H17N3O
SMILES
CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N
InChI
InChI=1S/C16H17N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-5,7,10,14,18H,6,8H2,1H3,(H2,17,20)/t10-,14-/m1/s1
InChIKey
GENAHGKEFJLNJB-QMTHXVAHSA-N
Compound name
(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

40
References

1628
Patents

267.13718 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.144456 161.1
[M+Na]+ 290.126398 169.6
[M-H]- 266.129904 162.5
[M+NH4]+ 285.171003 179.1
[M+K]+ 306.100338 163.4
[M+H-H2O]+ 250.134440 153.5
[M+HCOO]- 312.135381 176.2
[M+CH3COO]- 326.151031 171.6
[M+Na-2H]- 288.111846 165.4
[M]+ 267.13663142 158.8
[M]- 267.13772858 158.8
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