CID 451708

122002-82-8

Structural Information

Molecular Formula
C22H32N4O
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)CCC3=CC(=C(C(=C3)C)OC)C
InChI
InChI=1S/C22H32N4O/c1-5-23-20-7-6-9-24-22(20)26-13-11-25(12-14-26)10-8-19-15-17(2)21(27-4)18(3)16-19/h6-7,9,15-16,23H,5,8,10-14H2,1-4H3
InChIKey
AUWPPTBADGTUDA-UHFFFAOYSA-N
Compound name
N-ethyl-2-[4-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]piperazin-1-yl]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

368.2576 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.26488 196.2
[M+Na]+ 391.24682 201.1
[M-H]- 367.25032 200.8
[M+NH4]+ 386.29142 204.0
[M+K]+ 407.22076 194.9
[M+H-H2O]+ 351.25486 183.8
[M+HCOO]- 413.25580 211.7
[M+CH3COO]- 427.27145 223.6
[M+Na-2H]- 389.23227 196.2
[M]+ 368.25705 195.1
[M]- 368.25815 195.1
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