CID 17999105

104546-50-1

Structural Information

Molecular Formula
C15H20N4
SMILES
CN1C=CN=C1C(C2=CC=CC=C2)N3CCNCC3
InChI
InChI=1S/C15H20N4/c1-18-10-9-17-15(18)14(13-5-3-2-4-6-13)19-11-7-16-8-12-19/h2-6,9-10,14,16H,7-8,11-12H2,1H3
InChIKey
BISLYFJHPWWIIU-UHFFFAOYSA-N
Compound name
1-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

256.1688 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.17608 161.6
[M+Na]+ 279.15802 166.2
[M-H]- 255.16152 163.6
[M+NH4]+ 274.20262 173.2
[M+K]+ 295.13196 160.9
[M+H-H2O]+ 239.16606 150.4
[M+HCOO]- 301.16700 175.6
[M+CH3COO]- 315.18265 170.4
[M+Na-2H]- 277.14347 163.2
[M]+ 256.16825 154.9
[M]- 256.16935 154.9
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