CID 18727

Niosh/ah2887000

Structural Information

Molecular Formula
C24H33NO3
SMILES
CCCC(CC)OC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCCN(C)C
InChI
InChI=1S/C24H33NO3/c1-5-13-22(6-2)28-24(20-14-9-7-10-15-20,21-16-11-8-12-17-21)23(26)27-19-18-25(3)4/h7-12,14-17,22H,5-6,13,18-19H2,1-4H3
InChIKey
UDUXZOBMNQFDCP-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-hexan-3-yloxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.24603 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.253306 198.6
[M+Na]+ 406.235248 199.9
[M-H]- 382.238754 204.8
[M+NH4]+ 401.279853 209.7
[M+K]+ 422.209188 197.9
[M+H-H2O]+ 366.243290 189.0
[M+HCOO]- 428.244231 218.2
[M+CH3COO]- 442.259881 226.6
[M+Na-2H]- 404.220696 199.3
[M]+ 383.24548142 203.4
[M]- 383.24657858 203.4
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.