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

115
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

literature stripe

Patent stripe

patents stripe