CID 154265

129225-03-2

Structural Information

Molecular Formula
C23H27N3
SMILES
CC1=CC=C(C=C1)C2=NC(=CC=C2)C3=CC=C(C=C3)CNCCN(C)C
InChI
InChI=1S/C23H27N3/c1-18-7-11-20(12-8-18)22-5-4-6-23(25-22)21-13-9-19(10-14-21)17-24-15-16-26(2)3/h4-14,24H,15-17H2,1-3H3
InChIKey
FPLQEUULNMWXCK-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-[[4-[6-(4-methylphenyl)pyridin-2-yl]phenyl]methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.2205 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.22778 187.1
[M+Na]+ 368.20972 192.2
[M-H]- 344.21322 196.2
[M+NH4]+ 363.25432 198.7
[M+K]+ 384.18366 186.6
[M+H-H2O]+ 328.21776 175.8
[M+HCOO]- 390.21870 210.8
[M+CH3COO]- 404.23435 223.9
[M+Na-2H]- 366.19517 190.9
[M]+ 345.21995 188.0
[M]- 345.22105 188.0
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

No patent data available for this compound.