CID 108945

Einecs 262-245-1

Structural Information

Molecular Formula
C26H31ClN2O
SMILES
CCNC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)NCC)C)(C3=CC=CC=C3Cl)OC)C
InChI
InChI=1S/C26H31ClN2O/c1-6-28-24-14-12-20(16-18(24)3)26(30-5,22-10-8-9-11-23(22)27)21-13-15-25(29-7-2)19(4)17-21/h8-17,28-29H,6-7H2,1-5H3
InChIKey
GRLWPGPLHAAVLE-UHFFFAOYSA-N
Compound name
4-[(2-chlorophenyl)-[4-(ethylamino)-3-methylphenyl]-methoxymethyl]-N-ethyl-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

422.2125 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.21978 208.1
[M+Na]+ 445.20172 214.6
[M-H]- 421.20522 217.3
[M+NH4]+ 440.24632 218.8
[M+K]+ 461.17566 207.1
[M+H-H2O]+ 405.20976 198.5
[M+HCOO]- 467.21070 225.5
[M+CH3COO]- 481.22635 235.4
[M+Na-2H]- 443.18717 209.4
[M]+ 422.21195 212.5
[M]- 422.21305 212.5
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.