CID 16777293

(2-{4-[(pyrrolidin-1-yl)methyl]phenyl}phenyl)methanamine

Structural Information

Molecular Formula
C18H22N2
SMILES
C1CCN(C1)CC2=CC=C(C=C2)C3=CC=CC=C3CN
InChI
InChI=1S/C18H22N2/c19-13-17-5-1-2-6-18(17)16-9-7-15(8-10-16)14-20-11-3-4-12-20/h1-2,5-10H,3-4,11-14,19H2
InChIKey
WSKQPLKZRFNERD-UHFFFAOYSA-N
Compound name
[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.17828 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 163.7
[M+Na]+ 289.16750 168.8
[M-H]- 265.17100 171.0
[M+NH4]+ 284.21210 179.7
[M+K]+ 305.14144 163.2
[M+H-H2O]+ 249.17554 154.5
[M+HCOO]- 311.17648 185.2
[M+CH3COO]- 325.19213 174.6
[M+Na-2H]- 287.15295 165.4
[M]+ 266.17773 159.1
[M]- 266.17883 159.1
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.