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]+ 464.229226 205.1
[M+Na]+ 486.211168 208.6
[M-H]- 462.214674 206.8
[M+NH4]+ 481.255773 212.4
[M+K]+ 502.185108 202.5
[M+H-H2O]+ 446.219210 196.8
[M+HCOO]- 508.220151 221.6
[M+CH3COO]- 522.235801 234.6
[M+Na-2H]- 484.196616 204.8
[M]+ 463.22140142 205.1
[M]- 463.22249858 205.1
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.