CID 7091706

Cyclo(-trp-trp)

Structural Information

Molecular Formula
C22H20N4O2
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@H]3C(=O)N[C@H](C(=O)N3)CC4=CNC5=CC=CC=C54
InChI
InChI=1S/C22H20N4O2/c27-21-19(9-13-11-23-17-7-3-1-5-15(13)17)25-22(28)20(26-21)10-14-12-24-18-8-4-2-6-16(14)18/h1-8,11-12,19-20,23-24H,9-10H2,(H,25,28)(H,26,27)/t19-,20-/m0/s1
InChIKey
DNHODRZUCGXYKU-PMACEKPBSA-N
Compound name
(3S,6S)-3,6-bis(1H-indol-3-ylmethyl)piperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

29
Patents

372.15863 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16591 188.1
[M+Na]+ 395.14785 196.8
[M-H]- 371.15135 190.7
[M+NH4]+ 390.19245 197.5
[M+K]+ 411.12179 186.3
[M+H-H2O]+ 355.15589 178.6
[M+HCOO]- 417.15683 200.1
[M+CH3COO]- 431.17248 195.8
[M+Na-2H]- 393.13330 187.7
[M]+ 372.15808 183.7
[M]- 372.15918 183.7
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