CID 181567

Brevianamide f

Structural Information

Molecular Formula
C16H17N3O2
SMILES
C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CC3=CNC4=CC=CC=C43
InChI
InChI=1S/C16H17N3O2/c20-15-14-6-3-7-19(14)16(21)13(18-15)8-10-9-17-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,17H,3,6-8H2,(H,18,20)/t13-,14-/m0/s1
InChIKey
RYFZBPVMVYTEKZ-KBPBESRZSA-N
Compound name
(3S,8aS)-3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

117
Patents

283.13208 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13936 166.5
[M+Na]+ 306.12130 178.0
[M+NH4]+ 301.16590 173.7
[M+K]+ 322.09524 175.2
[M-H]- 282.12480 167.7
[M+Na-2H]- 304.10675 169.3
[M]+ 283.13153 168.1
[M]- 283.13263 168.1
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