CID 27088

Nsc 159413

Structural Information

Molecular Formula
C18H30N2O2
SMILES
CCC(C)N(CCCOC(=O)C1=CC=C(C=C1)N)C(C)CC
InChI
InChI=1S/C18H30N2O2/c1-5-14(3)20(15(4)6-2)12-7-13-22-18(21)16-8-10-17(19)11-9-16/h8-11,14-15H,5-7,12-13,19H2,1-4H3
InChIKey
QWFIELFCSSOVDP-UHFFFAOYSA-N
Compound name
3-[di(butan-2-yl)amino]propyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.23074 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.23802 180.6
[M+Na]+ 329.21996 182.9
[M-H]- 305.22346 183.8
[M+NH4]+ 324.26456 195.1
[M+K]+ 345.19390 181.9
[M+H-H2O]+ 289.22800 172.4
[M+HCOO]- 351.22894 201.6
[M+CH3COO]- 365.24459 217.3
[M+Na-2H]- 327.20541 178.2
[M]+ 306.23019 183.0
[M]- 306.23129 183.0
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.