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 205.1
[M+Na]+ 486.21117 208.6
[M-H]- 462.21467 206.8
[M+NH4]+ 481.25577 212.4
[M+K]+ 502.18511 202.5
[M+H-H2O]+ 446.21921 196.8
[M+HCOO]- 508.22015 221.6
[M+CH3COO]- 522.23580 234.6
[M+Na-2H]- 484.19662 204.8
[M]+ 463.22140 205.1
[M]- 463.22250 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.