CID 100775

64097-52-5

Structural Information

Molecular Formula
C18H22N2
SMILES
C1CCN(CC1)CC2=CC=C(C=C2)NC3=CC=CC=C3
InChI
InChI=1S/C18H22N2/c1-3-7-17(8-4-1)19-18-11-9-16(10-12-18)15-20-13-5-2-6-14-20/h1,3-4,7-12,19H,2,5-6,13-15H2
InChIKey
WYLXNOXBORNKPU-UHFFFAOYSA-N
Compound name
N-phenyl-4-(piperidin-1-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

266.17828 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 163.0
[M+Na]+ 289.16750 166.2
[M-H]- 265.17100 169.7
[M+NH4]+ 284.21210 176.8
[M+K]+ 305.14144 160.8
[M+H-H2O]+ 249.17554 152.9
[M+HCOO]- 311.17648 182.8
[M+CH3COO]- 325.19213 172.8
[M+Na-2H]- 287.15295 168.2
[M]+ 266.17773 156.6
[M]- 266.17883 156.6
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