CID 44467796

Evercool 180

Structural Information

Molecular Formula
C19H26N2O
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)CC#N)C(C)C
InChI
InChI=1S/C19H26N2O/c1-13(2)17-9-4-14(3)12-18(17)19(22)21-16-7-5-15(6-8-16)10-11-20/h5-8,13-14,17-18H,4,9-10,12H2,1-3H3,(H,21,22)/t14-,17+,18-/m1/s1
InChIKey
FPJRGEOLQICYQZ-FHLIZLRMSA-N
Compound name
(1R,2S,5R)-N-[4-(cyanomethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1950
Patents

298.2045 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.21178 175.9
[M+Na]+ 321.19372 181.9
[M-H]- 297.19722 180.5
[M+NH4]+ 316.23832 189.2
[M+K]+ 337.16766 176.5
[M+H-H2O]+ 281.20176 162.1
[M+HCOO]- 343.20270 190.6
[M+CH3COO]- 357.21835 219.2
[M+Na-2H]- 319.17917 174.1
[M]+ 298.20395 167.5
[M]- 298.20505 167.5
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

patents stripe