CID 3007950

2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-n-isopropyl-3h-benzimidazole-5-carboxamidine

Structural Information

Molecular Formula
C25H25FN4
SMILES
CC(C)N=C(C1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)CCC4=CC=C(C=C4)F)N
InChI
InChI=1S/C25H25FN4/c1-16(2)28-24(27)20-11-14-22-23(15-20)30-25(29-22)19-9-5-17(6-10-19)3-4-18-7-12-21(26)13-8-18/h5-16H,3-4H2,1-2H3,(H2,27,28)(H,29,30)
InChIKey
VPDWNCTXEOLQCM-UHFFFAOYSA-N
Compound name
2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-N'-propan-2-yl-3H-benzimidazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

400.20633 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.21361 198.9
[M+Na]+ 423.19555 205.8
[M-H]- 399.19905 205.5
[M+NH4]+ 418.24015 208.9
[M+K]+ 439.16949 197.4
[M+H-H2O]+ 383.20359 187.0
[M+HCOO]- 445.20453 218.6
[M+CH3COO]- 459.22018 207.3
[M+Na-2H]- 421.18100 199.2
[M]+ 400.20578 197.5
[M]- 400.20688 197.5
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.