CID 15953887

Schembl9036589

Structural Information

Molecular Formula
C19H26N4O
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C19H26N4O/c1-3-20-18-5-4-10-21-19(18)23-13-11-22(12-14-23)15-16-6-8-17(24-2)9-7-16/h4-10,20H,3,11-15H2,1-2H3
InChIKey
BNDLDBQZWUWSHU-UHFFFAOYSA-N
Compound name
N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

326.21066 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.21794 181.4
[M+Na]+ 349.19988 185.8
[M-H]- 325.20338 185.8
[M+NH4]+ 344.24448 190.4
[M+K]+ 365.17382 180.3
[M+H-H2O]+ 309.20792 169.2
[M+HCOO]- 371.20886 198.1
[M+CH3COO]- 385.22451 189.6
[M+Na-2H]- 347.18533 184.6
[M]+ 326.21011 178.5
[M]- 326.21121 178.5
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

No patent data available for this compound.