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

40
Patents

339.23105 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.23833 186.1
[M+Na]+ 362.22027 187.9
[M-H]- 338.22377 196.2
[M+NH4]+ 357.26487 196.6
[M+K]+ 378.19421 186.9
[M+H-H2O]+ 322.22831 174.7
[M+HCOO]- 384.22925 204.9
[M+CH3COO]- 398.24490 224.3
[M+Na-2H]- 360.20572 187.3
[M]+ 339.23050 184.3
[M]- 339.23160 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