CID 16005981

Avl-3288

Structural Information

Molecular Formula
C19H15Cl2N3O2
SMILES
CC1=NOC(=C1)/C(=C/NC2=CC=C(C=C2)Cl)/C(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H15Cl2N3O2/c1-12-10-18(26-24-12)17(11-22-15-6-2-13(20)3-7-15)19(25)23-16-8-4-14(21)5-9-16/h2-11,22H,1H3,(H,23,25)/b17-11-
InChIKey
VMAKIACTLSBBIY-BOPFTXTBSA-N
Compound name
(Z)-3-(4-chloroanilino)-N-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

460
Patents

387.05414 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.06142 192.4
[M+Na]+ 410.04336 200.1
[M-H]- 386.04686 200.9
[M+NH4]+ 405.08796 203.5
[M+K]+ 426.01730 193.6
[M+H-H2O]+ 370.05140 183.8
[M+HCOO]- 432.05234 205.9
[M+CH3COO]- 446.06799 202.1
[M+Na-2H]- 408.02881 193.1
[M]+ 387.05359 196.2
[M]- 387.05469 196.2
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

patents stripe