CID 60469

Nemazoline hydrochloride

Structural Information

Molecular Formula
C10H11Cl2N3
SMILES
C1CN=C(N1)CC2=CC(=C(C(=C2)Cl)N)Cl
InChI
InChI=1S/C10H11Cl2N3/c11-7-3-6(4-8(12)10(7)13)5-9-14-1-2-15-9/h3-4H,1-2,5,13H2,(H,14,15)
InChIKey
FXNNRWAIGIEAST-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

243
Patents

243.033 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.04028 150.3
[M+Na]+ 266.02222 163.9
[M+NH4]+ 261.06682 158.7
[M+K]+ 281.99616 158.0
[M-H]- 242.02572 153.1
[M+Na-2H]- 264.00767 157.2
[M]+ 243.03245 153.4
[M]- 243.03355 153.4
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