CID 146864

711389-s

Structural Information

Molecular Formula
C17H21Cl2N3O2
SMILES
CC(C)NCC(COC1=C(C=CC(=C1C(=C)N2C=CN=C2)Cl)Cl)O
InChI
InChI=1S/C17H21Cl2N3O2/c1-11(2)21-8-13(23)9-24-17-15(19)5-4-14(18)16(17)12(3)22-7-6-20-10-22/h4-7,10-11,13,21,23H,3,8-9H2,1-2H3
InChIKey
DROIRVKNZDBEFR-UHFFFAOYSA-N
Compound name
1-[3,6-dichloro-2-(1-imidazol-1-ylethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

4
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 184.5
[M+Na]+ 392.09029 191.3
[M-H]- 368.09379 186.6
[M+NH4]+ 387.13489 196.3
[M+K]+ 408.06423 184.9
[M+H-H2O]+ 352.09833 176.7
[M+HCOO]- 414.09927 193.5
[M+CH3COO]- 428.11492 215.7
[M+Na-2H]- 390.07574 181.8
[M]+ 369.10052 188.6
[M]- 369.10162 188.6
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