CID 3060229

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

Structural Information

Molecular Formula
C18H29N3O
SMILES
CCC(=O)N(CCN1CCCN(C1)C(C)C)C2=CC=CC=C2
InChI
InChI=1S/C18H29N3O/c1-4-18(22)21(17-9-6-5-7-10-17)14-13-19-11-8-12-20(15-19)16(2)3/h5-7,9-10,16H,4,8,11-15H2,1-3H3
InChIKey
OVIFBZBMCFGWJD-UHFFFAOYSA-N
Compound name
N-phenyl-N-[2-(3-propan-2-yl-1,3-diazinan-1-yl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.23105 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.23833 177.1
[M+Na]+ 326.22027 178.8
[M-H]- 302.22377 180.6
[M+NH4]+ 321.26487 189.1
[M+K]+ 342.19421 176.5
[M+H-H2O]+ 286.22831 166.8
[M+HCOO]- 348.22925 193.1
[M+CH3COO]- 362.24490 212.0
[M+Na-2H]- 324.20572 176.8
[M]+ 303.23050 174.7
[M]- 303.23160 174.7
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.