CID 196883

136816-67-6

Structural Information

Molecular Formula
C21H30N4O
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)CC3=CC(=C(C(=C3)C)OC)C
InChI
InChI=1S/C21H30N4O/c1-5-22-19-7-6-8-23-21(19)25-11-9-24(10-12-25)15-18-13-16(2)20(26-4)17(3)14-18/h6-8,13-14,22H,5,9-12,15H2,1-4H3
InChIKey
ZVJUASLGRLJEDC-UHFFFAOYSA-N
Compound name
N-ethyl-2-[4-[(4-methoxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

354.24197 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.24925 191.9
[M+Na]+ 377.23119 197.3
[M-H]- 353.23469 196.7
[M+NH4]+ 372.27579 200.4
[M+K]+ 393.20513 191.3
[M+H-H2O]+ 337.23923 179.7
[M+HCOO]- 399.24017 207.8
[M+CH3COO]- 413.25582 220.7
[M+Na-2H]- 375.21664 192.4
[M]+ 354.24142 190.5
[M]- 354.24252 190.5
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