CID 5272001

Chembl70038

Structural Information

Molecular Formula
C17H18N6
SMILES
CNCCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C17H18N6/c1-18-10-11-22-15-8-4-2-6-13(15)19-17(22)12-23-16-9-5-3-7-14(16)20-21-23/h2-9,18H,10-12H2,1H3
InChIKey
LHARMOWHHZKHMK-UHFFFAOYSA-N
Compound name
2-[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

306.1593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.16658 170.6
[M+Na]+ 329.14852 182.3
[M-H]- 305.15202 174.2
[M+NH4]+ 324.19312 184.3
[M+K]+ 345.12246 175.3
[M+H-H2O]+ 289.15656 159.8
[M+HCOO]- 351.15750 192.1
[M+CH3COO]- 365.17315 181.9
[M+Na-2H]- 327.13397 177.1
[M]+ 306.15875 175.8
[M]- 306.15985 175.8
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