CID 474013

178979-94-7

Structural Information

Molecular Formula
C15H19Cl2N3
SMILES
CC(C)C1=C(N(C(=N1)CN)C)CC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C15H19Cl2N3/c1-9(2)15-13(20(3)14(8-18)19-15)6-10-4-11(16)7-12(17)5-10/h4-5,7,9H,6,8,18H2,1-3H3
InChIKey
ZUEYJHOPIHATGY-UHFFFAOYSA-N
Compound name
[5-[(3,5-dichlorophenyl)methyl]-1-methyl-4-propan-2-ylimidazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

311.0956 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.10288 173.3
[M+Na]+ 334.08482 183.8
[M-H]- 310.08832 176.8
[M+NH4]+ 329.12942 188.8
[M+K]+ 350.05876 176.6
[M+H-H2O]+ 294.09286 165.9
[M+HCOO]- 356.09380 184.9
[M+CH3COO]- 370.10945 209.0
[M+Na-2H]- 332.07027 171.4
[M]+ 311.09505 177.1
[M]- 311.09615 177.1
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.