CID 11233414

304694-40-4

Structural Information

Molecular Formula
C20H25F3N2
SMILES
CCN(CC)CCNCC1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C20H25F3N2/c1-3-25(4-2)14-13-24-15-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20(21,22)23/h5-12,24H,3-4,13-15H2,1-2H3
InChIKey
CQBYREFQWDUSJY-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

119
Patents

350.197 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20428 184.6
[M+Na]+ 373.18622 189.6
[M-H]- 349.18972 187.8
[M+NH4]+ 368.23082 197.7
[M+K]+ 389.16016 184.6
[M+H-H2O]+ 333.19426 173.0
[M+HCOO]- 395.19520 204.6
[M+CH3COO]- 409.21085 223.3
[M+Na-2H]- 371.17167 186.7
[M]+ 350.19645 182.4
[M]- 350.19755 182.4
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.