CID 15959311

(2s)-n-(2-chloro-4-nitro-phenyl)-2-[3-(1h-indol-3-yl)prop-2-enoylamino]-3-phenyl-propanamide

Structural Information

Molecular Formula
C26H21ClN4O4
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)NC(=O)C=CC3=CNC4=CC=CC=C43
InChI
InChI=1S/C26H21ClN4O4/c27-21-15-19(31(34)35)11-12-23(21)30-26(33)24(14-17-6-2-1-3-7-17)29-25(32)13-10-18-16-28-22-9-5-4-8-20(18)22/h1-13,15-16,24,28H,14H2,(H,29,32)(H,30,33)/t24-/m0/s1
InChIKey
CUDFJLMRKQOMGF-DEOSSOPVSA-N
Compound name
(2S)-N-(2-chloro-4-nitrophenyl)-2-[3-(1H-indol-3-yl)prop-2-enoylamino]-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

488.12512 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.13240 214.1
[M+Na]+ 511.11434 216.3
[M-H]- 487.11784 221.4
[M+NH4]+ 506.15894 220.0
[M+K]+ 527.08828 205.0
[M+H-H2O]+ 471.12238 208.4
[M+HCOO]- 533.12332 230.6
[M+CH3COO]- 547.13897 231.4
[M+Na-2H]- 509.09979 216.7
[M]+ 488.12457 213.7
[M]- 488.12567 213.7
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

No patent data available for this compound.