CID 3068985

84138-37-4

Structural Information

Molecular Formula
C20H17ClN4O
SMILES
C1=CC=C2C(=C1)N=C(N2CNC3=CC=CC=N3)COC4=CC=CC=C4Cl
InChI
InChI=1S/C20H17ClN4O/c21-15-7-1-4-10-18(15)26-13-20-24-16-8-2-3-9-17(16)25(20)14-23-19-11-5-6-12-22-19/h1-12H,13-14H2,(H,22,23)
InChIKey
GMTHXKRYZNVTGH-UHFFFAOYSA-N
Compound name
N-[[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]methyl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1091 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.11638 183.9
[M+Na]+ 387.09832 193.8
[M-H]- 363.10182 190.7
[M+NH4]+ 382.14292 195.2
[M+K]+ 403.07226 185.5
[M+H-H2O]+ 347.10636 172.3
[M+HCOO]- 409.10730 201.7
[M+CH3COO]- 423.12295 194.2
[M+Na-2H]- 385.08377 190.0
[M]+ 364.10855 188.7
[M]- 364.10965 188.7
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.