CID 59050446

191546-94-8

Structural Information

Molecular Formula
C17H21N3
SMILES
CC1=C(N=CC=C1)N2CCN(CC2C3=CC=CC=C3)C
InChI
InChI=1S/C17H21N3/c1-14-7-6-10-18-17(14)20-12-11-19(2)13-16(20)15-8-4-3-5-9-15/h3-10,16H,11-13H2,1-2H3
InChIKey
JNMXDZGUVXJVEE-UHFFFAOYSA-N
Compound name
4-methyl-1-(3-methylpyridin-2-yl)-2-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

267.17355 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.18083 166.4
[M+Na]+ 290.16277 172.8
[M-H]- 266.16627 171.2
[M+NH4]+ 285.20737 178.3
[M+K]+ 306.13671 167.1
[M+H-H2O]+ 250.17081 155.1
[M+HCOO]- 312.17175 182.5
[M+CH3COO]- 326.18740 176.2
[M+Na-2H]- 288.14822 169.9
[M]+ 267.17300 162.0
[M]- 267.17410 162.0
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