CID 379743

Nsc664715

Structural Information

Molecular Formula
C17H15Cl2N3
SMILES
CC1=CC2=C(C=C1C)N3C(=C(C(=C(C3=N2)C#N)C)CCCl)Cl
InChI
InChI=1S/C17H15Cl2N3/c1-9-6-14-15(7-10(9)2)22-16(19)12(4-5-18)11(3)13(8-20)17(22)21-14/h6-7H,4-5H2,1-3H3
InChIKey
SMOICAGOEIBYJQ-UHFFFAOYSA-N
Compound name
1-chloro-2-(2-chloroethyl)-3,7,8-trimethylpyrido[1,2-a]benzimidazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.0643 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07158 178.0
[M+Na]+ 354.05352 194.6
[M-H]- 330.05702 179.8
[M+NH4]+ 349.09812 193.8
[M+K]+ 370.02746 183.8
[M+H-H2O]+ 314.06156 164.9
[M+HCOO]- 376.06250 186.3
[M+CH3COO]- 390.07815 188.3
[M+Na-2H]- 352.03897 178.9
[M]+ 331.06375 180.6
[M]- 331.06485 180.6
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.