CID 88859

Dtxsid2066696

Structural Information

Molecular Formula
C21H29N3O
SMILES
CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)N3CCOCC3
InChI
InChI=1S/C21H29N3O/c1-22(2)19-9-5-17(6-10-19)21(24-13-15-25-16-14-24)18-7-11-20(12-8-18)23(3)4/h5-12,21H,13-16H2,1-4H3
InChIKey
SGHYYRPQZQWKPK-UHFFFAOYSA-N
Compound name
4-[[4-(dimethylamino)phenyl]-morpholin-4-ylmethyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

339.23105 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.238326 186.1
[M+Na]+ 362.220268 187.9
[M-H]- 338.223774 196.2
[M+NH4]+ 357.264873 196.6
[M+K]+ 378.194208 186.9
[M+H-H2O]+ 322.228310 174.7
[M+HCOO]- 384.229251 204.9
[M+CH3COO]- 398.244901 224.3
[M+Na-2H]- 360.205716 187.3
[M]+ 339.23050142 184.3
[M]- 339.23159858 184.3
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