CID 15585628

90742-89-5

Structural Information

Molecular Formula
C17H21Cl2N3O2
SMILES
CC(C)NCC(COC1=C(C=CC(=C1Cl)Cl)C(=C)N2C=CN=C2)O
InChI
InChI=1S/C17H21Cl2N3O2/c1-11(2)21-8-13(23)9-24-17-14(4-5-15(18)16(17)19)12(3)22-7-6-20-10-22/h4-7,10-11,13,21,23H,3,8-9H2,1-2H3
InChIKey
BVIJFOPNBABOAV-UHFFFAOYSA-N
Compound name
1-[2,3-dichloro-6-(1-imidazol-1-ylethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

369.10107 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.10835 184.9
[M+Na]+ 392.09029 196.3
[M+NH4]+ 387.13489 190.6
[M+K]+ 408.06423 191.7
[M-H]- 368.09379 186.1
[M+Na-2H]- 390.07574 189.3
[M]+ 369.10052 187.1
[M]- 369.10162 187.1
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