CID 110070

4-tert-butyl-n,n-bis(2-hydroxyethyl)benzamide

Structural Information

Molecular Formula
C15H23NO3
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)N(CCO)CCO
InChI
InChI=1S/C15H23NO3/c1-15(2,3)13-6-4-12(5-7-13)14(19)16(8-10-17)9-11-18/h4-7,17-18H,8-11H2,1-3H3
InChIKey
MOXXEYNPPNSCTN-UHFFFAOYSA-N
Compound name
4-tert-butyl-N,N-bis(2-hydroxyethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

265.1678 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.175076 164.4
[M+Na]+ 288.157018 169.1
[M-H]- 264.160524 166.3
[M+NH4]+ 283.201623 180.2
[M+K]+ 304.130958 167.4
[M+H-H2O]+ 248.165060 158.2
[M+HCOO]- 310.166001 183.9
[M+CH3COO]- 324.181651 198.9
[M+Na-2H]- 286.142466 166.9
[M]+ 265.16725142 166.0
[M]- 265.16834858 166.0
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