CID 3060215

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

Structural Information

Molecular Formula
C14H23N3
SMILES
CCN1CCCN(C1)CCNC2=CC=CC=C2
InChI
InChI=1S/C14H23N3/c1-2-16-10-6-11-17(13-16)12-9-15-14-7-4-3-5-8-14/h3-5,7-8,15H,2,6,9-13H2,1H3
InChIKey
OIRIILMURSCDNG-UHFFFAOYSA-N
Compound name
N-[2-(3-ethyl-1,3-diazinan-1-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1892 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.19648 157.8
[M+Na]+ 256.17842 169.7
[M+NH4]+ 251.22302 166.1
[M+K]+ 272.15236 161.5
[M-H]- 232.18192 161.9
[M+Na-2H]- 254.16387 165.4
[M]+ 233.18865 160.5
[M]- 233.18975 160.5
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.