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
3
Annotation Hits

0
References

88
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.