CID 194702

Clonazoline

Structural Information

Molecular Formula
C14H13ClN2
SMILES
C1CN=C(N1)CC2=CC=C(C3=CC=CC=C23)Cl
InChI
InChI=1S/C14H13ClN2/c15-13-6-5-10(9-14-16-7-8-17-14)11-3-1-2-4-12(11)13/h1-6H,7-9H2,(H,16,17)
InChIKey
GPPLXTFJYCQMRB-UHFFFAOYSA-N
Compound name
2-[(4-chloronaphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

244.07672 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08400 154.3
[M+Na]+ 267.06594 163.5
[M-H]- 243.06944 157.5
[M+NH4]+ 262.11054 171.9
[M+K]+ 283.03988 156.2
[M+H-H2O]+ 227.07398 146.3
[M+HCOO]- 289.07492 168.9
[M+CH3COO]- 303.09057 165.9
[M+Na-2H]- 265.05139 159.0
[M]+ 244.07617 153.4
[M]- 244.07727 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

literature stripe

Patent stripe

patents stripe