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

251
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 152.4
[M+Na]+ 266.02222 162.0
[M-H]- 242.02572 154.0
[M+NH4]+ 261.06682 169.2
[M+K]+ 281.99616 154.8
[M+H-H2O]+ 226.03026 145.4
[M+HCOO]- 288.03120 163.6
[M+CH3COO]- 302.04685 163.6
[M+Na-2H]- 264.00767 154.1
[M]+ 243.03245 150.8
[M]- 243.03355 150.8
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

patents stripe