CID 71480279

Brevianamide t

Structural Information

Molecular Formula
C21H19N3O2
SMILES
CC(C)(C=C)C1=C(C2=CC=CC=C2N1)/C=C\3/C(=O)N4C=CC=C4C(=O)N3
InChI
InChI=1S/C21H19N3O2/c1-4-21(2,3)18-14(13-8-5-6-9-15(13)22-18)12-16-20(26)24-11-7-10-17(24)19(25)23-16/h4-12,22H,1H2,2-3H3,(H,23,25)/b16-12-
InChIKey
WXBLMCVYDMVHHI-VBKFSLOCSA-N
Compound name
(3Z)-3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]pyrrolo[1,2-a]pyrazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.14774 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15502 186.0
[M+Na]+ 368.13696 198.7
[M-H]- 344.14046 190.3
[M+NH4]+ 363.18156 200.2
[M+K]+ 384.11090 189.5
[M+H-H2O]+ 328.14500 178.4
[M+HCOO]- 390.14594 204.1
[M+CH3COO]- 404.16159 196.8
[M+Na-2H]- 366.12241 188.4
[M]+ 345.14719 188.8
[M]- 345.14829 188.8
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

No patent data available for this compound.