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]+ 366.181226 182.5
[M+Na]+ 388.163168 190.7
[M-H]- 364.166674 188.0
[M+NH4]+ 383.207773 193.3
[M+K]+ 404.137108 185.4
[M+H-H2O]+ 348.171210 176.4
[M+HCOO]- 410.172151 199.6
[M+CH3COO]- 424.187801 191.6
[M+Na-2H]- 386.148616 189.2
[M]+ 365.17340142 186.4
[M]- 365.17449858 186.4
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.