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 182.5
[M+Na]+ 388.16317 190.7
[M-H]- 364.16667 188.0
[M+NH4]+ 383.20777 193.3
[M+K]+ 404.13711 185.4
[M+H-H2O]+ 348.17121 176.4
[M+HCOO]- 410.17215 199.6
[M+CH3COO]- 424.18780 191.6
[M+Na-2H]- 386.14862 189.2
[M]+ 365.17340 186.4
[M]- 365.17450 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.