CID 6481605

1-[[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1h-quinolizine

Structural Information

Molecular Formula
C24H28N6
SMILES
C1CCN2CCCC(C2C1)CN3C4=CC=CC=C4N=C3CN5C6=CC=CC=C6N=N5
InChI
InChI=1S/C24H28N6/c1-3-12-22-19(9-1)25-24(17-30-23-13-4-2-10-20(23)26-27-30)29(22)16-18-8-7-15-28-14-6-5-11-21(18)28/h1-4,9-10,12-13,18,21H,5-8,11,14-17H2
InChIKey
NJTHFQXCLCGVGR-UHFFFAOYSA-N
Compound name
1-[[2-(benzotriazol-1-ylmethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.23755 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.24483 198.0
[M+Na]+ 423.22677 205.3
[M-H]- 399.23027 202.0
[M+NH4]+ 418.27137 206.3
[M+K]+ 439.20071 196.1
[M+H-H2O]+ 383.23481 183.7
[M+HCOO]- 445.23575 208.1
[M+CH3COO]- 459.25140 204.6
[M+Na-2H]- 421.21222 197.5
[M]+ 400.23700 195.5
[M]- 400.23810 195.5
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.