CID 208885

(s)-2-amino-n,n'-bis(2-(5-hydroxy-1h-indol-3-yl)ethyl)pentanediamide hydrochloride

Structural Information

Molecular Formula
C25H29N5O4
SMILES
C1=CC2=C(C=C1O)C(=CN2)CCNC(=O)CC[C@@H](C(=O)NCCC3=CNC4=C3C=C(C=C4)O)N
InChI
InChI=1S/C25H29N5O4/c26-21(25(34)28-10-8-16-14-30-23-5-2-18(32)12-20(16)23)3-6-24(33)27-9-7-15-13-29-22-4-1-17(31)11-19(15)22/h1-2,4-5,11-14,21,29-32H,3,6-10,26H2,(H,27,33)(H,28,34)/t21-/m0/s1
InChIKey
SMQVUGSBAOMUDC-NRFANRHFSA-N
Compound name
(2S)-2-amino-N,N'-bis[2-(5-hydroxy-1H-indol-3-yl)ethyl]pentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.22195 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.22923 211.5
[M+Na]+ 486.21117 218.4
[M+NH4]+ 481.25577 214.2
[M+K]+ 502.18511 218.2
[M-H]- 462.21467 212.4
[M+Na-2H]- 484.19662 212.8
[M]+ 463.22140 211.9
[M]- 463.22250 211.9
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.