CID 15953882

122002-78-2

Structural Information

Molecular Formula
C23H34N4O
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)CCCC3=CC(=C(C(=C3)C)OC)C
InChI
InChI=1S/C23H34N4O/c1-5-24-21-9-6-10-25-23(21)27-14-12-26(13-15-27)11-7-8-20-16-18(2)22(28-4)19(3)17-20/h6,9-10,16-17,24H,5,7-8,11-15H2,1-4H3
InChIKey
JFRHRJPVUXSSAW-UHFFFAOYSA-N
Compound name
N-ethyl-2-[4-[3-(4-methoxy-3,5-dimethylphenyl)propyl]piperazin-1-yl]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

382.27325 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.28053 200.4
[M+Na]+ 405.26247 204.9
[M-H]- 381.26597 204.8
[M+NH4]+ 400.30707 207.7
[M+K]+ 421.23641 198.5
[M+H-H2O]+ 365.27051 187.8
[M+HCOO]- 427.27145 215.6
[M+CH3COO]- 441.28710 226.5
[M+Na-2H]- 403.24792 199.9
[M]+ 382.27270 199.6
[M]- 382.27380 199.6
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