CID 6481620

1-[[1-[2-(1,3-dioxolan-2-yl)ethyl]benzimidazol-2-yl]methyl]benzotriazole

Structural Information

Molecular Formula
C19H19N5O2
SMILES
C1COC(O1)CCN2C3=CC=CC=C3N=C2CN4C5=CC=CC=C5N=N4
InChI
InChI=1S/C19H19N5O2/c1-3-7-16-14(5-1)20-18(23(16)10-9-19-25-11-12-26-19)13-24-17-8-4-2-6-15(17)21-22-24/h1-8,19H,9-13H2
InChIKey
YWKOFVBCJJKERA-UHFFFAOYSA-N
Compound name
1-[[1-[2-(1,3-dioxolan-2-yl)ethyl]benzimidazol-2-yl]methyl]benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

349.15387 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.16115 177.2
[M+Na]+ 372.14309 187.9
[M-H]- 348.14659 185.0
[M+NH4]+ 367.18769 187.9
[M+K]+ 388.11703 184.4
[M+H-H2O]+ 332.15113 167.5
[M+HCOO]- 394.15207 194.7
[M+CH3COO]- 408.16772 188.2
[M+Na-2H]- 370.12854 178.1
[M]+ 349.15332 182.9
[M]- 349.15442 182.9
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

patents stripe