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]+ 267.185556 163.7
[M+Na]+ 289.167498 168.8
[M-H]- 265.171004 171.0
[M+NH4]+ 284.212103 179.7
[M+K]+ 305.141438 163.2
[M+H-H2O]+ 249.175540 154.5
[M+HCOO]- 311.176481 185.2
[M+CH3COO]- 325.192131 174.6
[M+Na-2H]- 287.152946 165.4
[M]+ 266.17773142 159.1
[M]- 266.17882858 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.