CID 201815

6892-97-3

Structural Information

Molecular Formula
C15H18N4
SMILES
C1CN(CCN1C2=CC=CC=C2)C3=C(C=NC=C3)N
InChI
InChI=1S/C15H18N4/c16-14-12-17-7-6-15(14)19-10-8-18(9-11-19)13-4-2-1-3-5-13/h1-7,12H,8-11,16H2
InChIKey
MVKJSPMPQBGCLO-UHFFFAOYSA-N
Compound name
4-(4-phenylpiperazin-1-yl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.15315 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.16043 160.7
[M+Na]+ 277.14237 166.2
[M-H]- 253.14587 165.0
[M+NH4]+ 272.18697 172.2
[M+K]+ 293.11631 160.6
[M+H-H2O]+ 237.15041 149.5
[M+HCOO]- 299.15135 178.0
[M+CH3COO]- 313.16700 170.3
[M+Na-2H]- 275.12782 165.8
[M]+ 254.15260 153.8
[M]- 254.15370 153.8
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