CID 148369

129224-75-5

Structural Information

Molecular Formula
C23H27N3
SMILES
CN(C)CC1=CC=C(C=C1)C2=NC(=CC=C2)C3=CC=C(C=C3)CN(C)C
InChI
InChI=1S/C23H27N3/c1-25(2)16-18-8-12-20(13-9-18)22-6-5-7-23(24-22)21-14-10-19(11-15-21)17-26(3)4/h5-15H,16-17H2,1-4H3
InChIKey
RFLWYIRYGCLWPB-UHFFFAOYSA-N
Compound name
1-[4-[6-[4-[(dimethylamino)methyl]phenyl]pyridin-2-yl]phenyl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

345.2205 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.22778 187.5
[M+Na]+ 368.20972 192.7
[M-H]- 344.21322 198.0
[M+NH4]+ 363.25432 199.7
[M+K]+ 384.18366 188.4
[M+H-H2O]+ 328.21776 175.9
[M+HCOO]- 390.21870 211.6
[M+CH3COO]- 404.23435 227.2
[M+Na-2H]- 366.19517 190.4
[M]+ 345.21995 189.6
[M]- 345.22105 189.6
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