CID 27096

Nsc 159412

Structural Information

Molecular Formula
C16H26N2O2
SMILES
CC(C)N(CCCOC(=O)C1=CC=C(C=C1)N)C(C)C
InChI
InChI=1S/C16H26N2O2/c1-12(2)18(13(3)4)10-5-11-20-16(19)14-6-8-15(17)9-7-14/h6-9,12-13H,5,10-11,17H2,1-4H3
InChIKey
NMHBSIIOPWLVHE-UHFFFAOYSA-N
Compound name
3-[di(propan-2-yl)amino]propyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.19943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.206706 171.3
[M+Na]+ 301.188648 174.5
[M-H]- 277.192154 175.0
[M+NH4]+ 296.233253 187.0
[M+K]+ 317.162588 174.0
[M+H-H2O]+ 261.196690 163.5
[M+HCOO]- 323.197631 193.0
[M+CH3COO]- 337.213281 211.4
[M+Na-2H]- 299.174096 169.9
[M]+ 278.19888142 173.0
[M]- 278.19997858 173.0
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

No patent data available for this compound.