CID 59710

Brn 3472384

Structural Information

Molecular Formula
C24H34N2O2
SMILES
CCCCOC(=O)C(C1=CC=CC=C1)N(CCN(CC)CC)C2=CC=CC=C2
InChI
InChI=1S/C24H34N2O2/c1-4-7-20-28-24(27)23(21-14-10-8-11-15-21)26(19-18-25(5-2)6-3)22-16-12-9-13-17-22/h8-17,23H,4-7,18-20H2,1-3H3
InChIKey
NOXPFLNVDQWPQN-UHFFFAOYSA-N
Compound name
butyl 2-[N-[2-(diethylamino)ethyl]anilino]-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.26202 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.26930 200.6
[M+Na]+ 405.25124 200.8
[M-H]- 381.25474 207.8
[M+NH4]+ 400.29584 211.9
[M+K]+ 421.22518 198.9
[M+H-H2O]+ 365.25928 189.9
[M+HCOO]- 427.26022 223.1
[M+CH3COO]- 441.27587 232.5
[M+Na-2H]- 403.23669 199.9
[M]+ 382.26147 204.9
[M]- 382.26257 204.9
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.