CID 3069763

Brn 5619387

Structural Information

Molecular Formula
C18H23Cl2N3O2
SMILES
CC(C)CNCC(COC1=C(C=CC(=C1C(=C)N2C=CN=C2)Cl)Cl)O
InChI
InChI=1S/C18H23Cl2N3O2/c1-12(2)8-22-9-14(24)10-25-18-16(20)5-4-15(19)17(18)13(3)23-7-6-21-11-23/h4-7,11-12,14,22,24H,3,8-10H2,1-2H3
InChIKey
KTXUUEKZSODRCW-UHFFFAOYSA-N
Compound name
1-[3,6-dichloro-2-(1-imidazol-1-ylethenyl)phenoxy]-3-(2-methylpropylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

383.11673 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.12401 188.9
[M+Na]+ 406.10595 195.3
[M-H]- 382.10945 190.9
[M+NH4]+ 401.15055 200.2
[M+K]+ 422.07989 188.7
[M+H-H2O]+ 366.11399 181.0
[M+HCOO]- 428.11493 197.6
[M+CH3COO]- 442.13058 218.5
[M+Na-2H]- 404.09140 185.7
[M]+ 383.11618 193.4
[M]- 383.11728 193.4
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

patents stripe