CID 23655738

Variecolorin g

Structural Information

Molecular Formula
C24H29N3O2
SMILES
C[C@H]1C(=O)N/C(=C\C2=C(NC3=C(C=CC=C23)CC=C(C)C)C(C)(C)C=C)/C(=O)N1
InChI
InChI=1S/C24H29N3O2/c1-7-24(5,6)21-18(13-19-23(29)25-15(4)22(28)26-19)17-10-8-9-16(20(17)27-21)12-11-14(2)3/h7-11,13,15,27H,1,12H2,2-6H3,(H,25,29)(H,26,28)/b19-13-/t15-/m0/s1
InChIKey
CVRBXJYAJQNPNW-CCNLRRDASA-N
Compound name
(3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-7-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

391.22598 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.233256 202.4
[M+Na]+ 414.215198 209.3
[M-H]- 390.218704 202.0
[M+NH4]+ 409.259803 211.1
[M+K]+ 430.189138 199.5
[M+H-H2O]+ 374.223240 194.5
[M+HCOO]- 436.224181 211.0
[M+CH3COO]- 450.239831 218.8
[M+Na-2H]- 412.200646 197.8
[M]+ 391.22543142 198.1
[M]- 391.22652858 198.1
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

No patent data available for this compound.