CID 200909

Brn 1082256

Structural Information

Molecular Formula
C18H26N2O
SMILES
CCC(C)C(CCN1CCOCC1)(C#N)C2=CC=CC=C2
InChI
InChI=1S/C18H26N2O/c1-3-16(2)18(15-19,17-7-5-4-6-8-17)9-10-20-11-13-21-14-12-20/h4-8,16H,3,9-14H2,1-2H3
InChIKey
KUSPAVYMGQSRFN-UHFFFAOYSA-N
Compound name
3-methyl-2-(2-morpholin-4-ylethyl)-2-phenylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2045 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.21178 170.1
[M+Na]+ 309.19372 174.9
[M-H]- 285.19722 172.8
[M+NH4]+ 304.23832 180.9
[M+K]+ 325.16766 171.0
[M+H-H2O]+ 269.20176 154.9
[M+HCOO]- 331.20270 181.4
[M+CH3COO]- 345.21835 212.1
[M+Na-2H]- 307.17917 173.0
[M]+ 286.20395 162.6
[M]- 286.20505 162.6
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

patents stripe