CID 6481634

1h-benzimidazole-1-propanamine, 2-(2h-1,2,3-benzotriazol-2-ylmethyl)-n,n-diethyl-5-(trifluoromethyl)-

Structural Information

Molecular Formula
C22H25F3N6
SMILES
CCN(CC)CCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1CN3N=C4C=CC=CC4=N3
InChI
InChI=1S/C22H25F3N6/c1-3-29(4-2)12-7-13-30-20-11-10-16(22(23,24)25)14-19(20)26-21(30)15-31-27-17-8-5-6-9-18(17)28-31/h5-6,8-11,14H,3-4,7,12-13,15H2,1-2H3
InChIKey
DSDCRHCEAKECNL-UHFFFAOYSA-N
Compound name
3-[2-(benzotriazol-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.2093 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.21658 204.8
[M+Na]+ 453.19852 215.5
[M-H]- 429.20202 205.8
[M+NH4]+ 448.24312 214.3
[M+K]+ 469.17246 207.9
[M+H-H2O]+ 413.20656 191.0
[M+HCOO]- 475.20750 220.1
[M+CH3COO]- 489.22315 213.0
[M+Na-2H]- 451.18397 206.3
[M]+ 430.20875 209.6
[M]- 430.20985 209.6
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.