CID 6481613

Schembl5859676

Structural Information

Molecular Formula
C18H18Cl2N6
SMILES
CN(C)CCN1C2=CC(=C(C=C2N=C1CN3C4=CC=CC=C4N=N3)Cl)Cl
InChI
InChI=1S/C18H18Cl2N6/c1-24(2)7-8-25-17-10-13(20)12(19)9-15(17)21-18(25)11-26-16-6-4-3-5-14(16)22-23-26/h3-6,9-10H,7-8,11H2,1-2H3
InChIKey
KDPQXOQILZDUBP-UHFFFAOYSA-N
Compound name
2-[2-(benzotriazol-1-ylmethyl)-5,6-dichlorobenzimidazol-1-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

388.097 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.10428 191.0
[M+Na]+ 411.08622 204.5
[M-H]- 387.08972 194.9
[M+NH4]+ 406.13082 203.5
[M+K]+ 427.06016 196.7
[M+H-H2O]+ 371.09426 179.5
[M+HCOO]- 433.09520 202.2
[M+CH3COO]- 447.11085 201.2
[M+Na-2H]- 409.07167 192.8
[M]+ 388.09645 201.0
[M]- 388.09755 201.0
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.