CID 3039342

1-acetyllysergic acid ethylamide

Structural Information

Molecular Formula
C20H23N3O2
SMILES
CCNC(=O)[C@H]1CN([C@@H]2CC3=CN(C4=CC=CC(=C34)C2=C1)C(=O)C)C
InChI
InChI=1S/C20H23N3O2/c1-4-21-20(25)14-8-16-15-6-5-7-17-19(15)13(11-23(17)12(2)24)9-18(16)22(3)10-14/h5-8,11,14,18H,4,9-10H2,1-3H3,(H,21,25)/t14-,18-/m1/s1
InChIKey
UKRWCEJTOPSTEC-RDTXWAMCSA-N
Compound name
(6aR,9R)-4-acetyl-N-ethyl-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

337.17902 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18630 182.2
[M+Na]+ 360.16824 189.8
[M-H]- 336.17174 185.0
[M+NH4]+ 355.21284 198.2
[M+K]+ 376.14218 184.6
[M+H-H2O]+ 320.17628 173.8
[M+HCOO]- 382.17722 197.1
[M+CH3COO]- 396.19287 191.8
[M+Na-2H]- 358.15369 183.9
[M]+ 337.17847 184.1
[M]- 337.17957 184.1
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

patents stripe