CID 86771

18643-32-8

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CN(CC1CO1)C2=CC=C(C=C2)CC3=CC=C(C=C3)N(C)CC4CO4
InChI
InChI=1S/C21H26N2O2/c1-22(12-20-14-24-20)18-7-3-16(4-8-18)11-17-5-9-19(10-6-17)23(2)13-21-15-25-21/h3-10,20-21H,11-15H2,1-2H3
InChIKey
CXXISLZOPXKTTK-UHFFFAOYSA-N
Compound name
N-methyl-4-[[4-[methyl(oxiran-2-ylmethyl)amino]phenyl]methyl]-N-(oxiran-2-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1093
Patents

338.19943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.206706 179.9
[M+Na]+ 361.188648 185.0
[M-H]- 337.192154 194.5
[M+NH4]+ 356.233253 181.3
[M+K]+ 377.162588 186.2
[M+H-H2O]+ 321.196690 171.3
[M+HCOO]- 383.197631 201.1
[M+CH3COO]- 397.213281 228.5
[M+Na-2H]- 359.174096 182.7
[M]+ 338.19888142 187.5
[M]- 338.19997858 187.5
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

patents stripe