CID 50713

73713-51-6

Structural Information

Molecular Formula
C17H28N2O2
SMILES
CCCC(CCC)NC(C)COC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C17H28N2O2/c1-4-6-16(7-5-2)19-13(3)12-21-17(20)14-8-10-15(18)11-9-14/h8-11,13,16,19H,4-7,12,18H2,1-3H3
InChIKey
BQKCOGCXXOGCFZ-UHFFFAOYSA-N
Compound name
2-(heptan-4-ylamino)propyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.2151 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.222376 175.8
[M+Na]+ 315.204318 178.3
[M-H]- 291.207824 177.7
[M+NH4]+ 310.248923 190.2
[M+K]+ 331.178258 176.1
[M+H-H2O]+ 275.212360 167.9
[M+HCOO]- 337.213301 196.6
[M+CH3COO]- 351.228951 211.0
[M+Na-2H]- 313.189766 174.6
[M]+ 292.21455142 176.5
[M]- 292.21564858 176.5
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.