CID 6481618

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

Structural Information

Molecular Formula
C21H25N5
SMILES
CC(CN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N=N3)C(C)(C)C
InChI
InChI=1S/C21H25N5/c1-15(21(2,3)4)13-25-18-11-7-5-9-16(18)22-20(25)14-26-19-12-8-6-10-17(19)23-24-26/h5-12,15H,13-14H2,1-4H3
InChIKey
FGKKHIPWIOPIEL-UHFFFAOYSA-N
Compound name
1-[[1-(2,3,3-trimethylbutyl)benzimidazol-2-yl]methyl]benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.211 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.21828 189.9
[M+Na]+ 370.20022 200.7
[M-H]- 346.20372 193.4
[M+NH4]+ 365.24482 202.4
[M+K]+ 386.17416 194.0
[M+H-H2O]+ 330.20826 179.5
[M+HCOO]- 392.20920 206.3
[M+CH3COO]- 406.22485 199.9
[M+Na-2H]- 368.18567 192.9
[M]+ 347.21045 195.7
[M]- 347.21155 195.7
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.