CID 155543741

Chembl4525771

Structural Information

Molecular Formula
C21H23N3O3
SMILES
CC12C(O1)(C3=CC=CC=C3N2)CCNCC4=CC=C(C=C4)/C=C/C(=O)NO
InChI
InChI=1S/C21H23N3O3/c1-20-21(27-20,17-4-2-3-5-18(17)23-20)12-13-22-14-16-8-6-15(7-9-16)10-11-19(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
InChIKey
CXPJOGYQWSAATI-ZHACJKMWSA-N
Compound name
(E)-3-[4-[[2-(1a-methyl-2H-oxireno[2,3-b]indol-6b-yl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.17395 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.18123 187.4
[M+Na]+ 388.16317 199.0
[M+NH4]+ 383.20777 197.0
[M+K]+ 404.13711 191.9
[M-H]- 364.16667 198.5
[M+Na-2H]- 386.14862 195.9
[M]+ 365.17340 193.5
[M]- 365.17450 193.5
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.