CID 3060388

Brn 4534490

Structural Information

Molecular Formula
C19H20N4
SMILES
C1CN(CCN1C2=CC3=CC=CC=C3C=C2)C4=C(C=NC=C4)N
InChI
InChI=1S/C19H20N4/c20-18-14-21-8-7-19(18)23-11-9-22(10-12-23)17-6-5-15-3-1-2-4-16(15)13-17/h1-8,13-14H,9-12,20H2
InChIKey
GLWRXGBJROSBPQ-UHFFFAOYSA-N
Compound name
4-(4-naphthalen-2-ylpiperazin-1-yl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1688 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17608 174.1
[M+Na]+ 327.15802 180.1
[M-H]- 303.16152 179.1
[M+NH4]+ 322.20262 184.5
[M+K]+ 343.13196 172.7
[M+H-H2O]+ 287.16606 161.9
[M+HCOO]- 349.16700 189.6
[M+CH3COO]- 363.18265 182.7
[M+Na-2H]- 325.14347 179.3
[M]+ 304.16825 167.5
[M]- 304.16935 167.5
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.