CID 217252

Hydroxymethylclenbuterol

Structural Information

Molecular Formula
C12H18Cl2N2O2
SMILES
CC(C)(CO)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O
InChI
InChI=1S/C12H18Cl2N2O2/c1-12(2,6-17)16-5-10(18)7-3-8(13)11(15)9(14)4-7/h3-4,10,16-18H,5-6,15H2,1-2H3
InChIKey
BWURCANZQUYPLR-UHFFFAOYSA-N
Compound name
2-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

292.07452 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08180 165.1
[M+Na]+ 315.06374 172.6
[M-H]- 291.06724 165.4
[M+NH4]+ 310.10834 180.4
[M+K]+ 331.03768 166.6
[M+H-H2O]+ 275.07178 161.6
[M+HCOO]- 337.07272 175.5
[M+CH3COO]- 351.08837 201.9
[M+Na-2H]- 313.04919 166.5
[M]+ 292.07397 166.0
[M]- 292.07507 166.0
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

patents stripe