CID 3066567

110545-39-6

Structural Information

Molecular Formula
C25H25F3N4
SMILES
CN1C(=NC2=C1C3=CC=CC=C3C=C2)CCN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F
InChI
InChI=1S/C25H25F3N4/c1-30-23(29-22-10-9-18-5-2-3-8-21(18)24(22)30)11-12-31-13-15-32(16-14-31)20-7-4-6-19(17-20)25(26,27)28/h2-10,17H,11-16H2,1H3
InChIKey
UYKIBIZDMDIWRS-UHFFFAOYSA-N
Compound name
1-methyl-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]benzo[e]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

438.20312 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.21040 211.5
[M+Na]+ 461.19234 220.0
[M-H]- 437.19584 213.4
[M+NH4]+ 456.23694 218.8
[M+K]+ 477.16628 209.9
[M+H-H2O]+ 421.20038 195.9
[M+HCOO]- 483.20132 219.9
[M+CH3COO]- 497.21697 217.5
[M+Na-2H]- 459.17779 211.2
[M]+ 438.20257 207.0
[M]- 438.20367 207.0
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