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

1589
Patents

267.13718 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14446 161.1
[M+Na]+ 290.12640 169.6
[M-H]- 266.12990 162.5
[M+NH4]+ 285.17100 179.1
[M+K]+ 306.10034 163.4
[M+H-H2O]+ 250.13444 153.5
[M+HCOO]- 312.13538 176.2
[M+CH3COO]- 326.15103 171.6
[M+Na-2H]- 288.11185 165.4
[M]+ 267.13663 158.8
[M]- 267.13773 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.