CID 6481619

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

Structural Information

Molecular Formula
C18H17N5O2
SMILES
C1COC(O1)CN2C3=CC=CC=C3N=C2CN4C5=CC=CC=C5N=N4
InChI
InChI=1S/C18H17N5O2/c1-3-7-15-13(5-1)19-17(22(15)12-18-24-9-10-25-18)11-23-16-8-4-2-6-14(16)20-21-23/h1-8,18H,9-12H2
InChIKey
SIGOEVCMNHFNQK-UHFFFAOYSA-N
Compound name
1-[[1-(1,3-dioxolan-2-ylmethyl)benzimidazol-2-yl]methyl]benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

335.1382 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.14548 172.8
[M+Na]+ 358.12742 184.0
[M-H]- 334.13092 180.8
[M+NH4]+ 353.17202 184.1
[M+K]+ 374.10136 180.7
[M+H-H2O]+ 318.13546 163.3
[M+HCOO]- 380.13640 190.7
[M+CH3COO]- 394.15205 184.3
[M+Na-2H]- 356.11287 174.3
[M]+ 335.13765 178.3
[M]- 335.13875 178.3
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