CID 3505829

4-amino-n,n-bis(2-ethylhexyl)benzamide

Structural Information

Molecular Formula
C23H40N2O
SMILES
CCCCC(CC)CN(CC(CC)CCCC)C(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C23H40N2O/c1-5-9-11-19(7-3)17-25(18-20(8-4)12-10-6-2)23(26)21-13-15-22(24)16-14-21/h13-16,19-20H,5-12,17-18,24H2,1-4H3
InChIKey
WNGHEVVSGPPVMV-UHFFFAOYSA-N
Compound name
4-amino-N,N-bis(2-ethylhexyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

360.31406 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.32134 200.4
[M+Na]+ 383.30328 200.7
[M-H]- 359.30678 202.7
[M+NH4]+ 378.34788 212.8
[M+K]+ 399.27722 197.9
[M+H-H2O]+ 343.31132 191.5
[M+HCOO]- 405.31226 219.5
[M+CH3COO]- 419.32791 230.1
[M+Na-2H]- 381.28873 195.3
[M]+ 360.31351 203.2
[M]- 360.31461 203.2
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