CID 3060221

1(2h)-pyrimidineethanamine, tetrahydro-n-phenyl-3-(phenylmethyl)-, ethanedioate, hydrate (2:4:1)

Structural Information

Molecular Formula
C19H25N3
SMILES
C1CN(CN(C1)CC2=CC=CC=C2)CCNC3=CC=CC=C3
InChI
InChI=1S/C19H25N3/c1-3-8-18(9-4-1)16-22-14-7-13-21(17-22)15-12-20-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2
InChIKey
RCJRFSLASCISDJ-UHFFFAOYSA-N
Compound name
N-[2-(3-benzyl-1,3-diazinan-1-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.20483 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.21211 174.8
[M+Na]+ 318.19405 188.6
[M+NH4]+ 313.23865 183.4
[M+K]+ 334.16799 178.8
[M-H]- 294.19755 181.6
[M+Na-2H]- 316.17950 185.1
[M]+ 295.20428 178.7
[M]- 295.20538 178.7
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.