CID 217258

38339-25-2

Structural Information

Molecular Formula
C18H20Cl2N2O3
SMILES
CC(C)(C1=CC2=C(C=C1)OCO2)NCC(C3=CC(=C(C(=C3)Cl)N)Cl)O
InChI
InChI=1S/C18H20Cl2N2O3/c1-18(2,11-3-4-15-16(7-11)25-9-24-15)22-8-14(23)10-5-12(19)17(21)13(20)6-10/h3-7,14,22-23H,8-9,21H2,1-2H3
InChIKey
DQFQITORHSBEMX-UHFFFAOYSA-N
Compound name
1-(4-amino-3,5-dichlorophenyl)-2-[2-(1,3-benzodioxol-5-yl)propan-2-ylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.08508 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.09236 192.6
[M+Na]+ 405.07430 200.2
[M-H]- 381.07780 199.2
[M+NH4]+ 400.11890 204.7
[M+K]+ 421.04824 195.9
[M+H-H2O]+ 365.08234 187.3
[M+HCOO]- 427.08328 200.9
[M+CH3COO]- 441.09893 219.4
[M+Na-2H]- 403.05975 194.4
[M]+ 382.08453 196.8
[M]- 382.08563 196.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.