CID 50779

73713-54-9

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CCC(CC)NCC(C)OC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C15H24N2O2/c1-4-14(5-2)17-10-11(3)19-15(18)12-6-8-13(16)9-7-12/h6-9,11,14,17H,4-5,10,16H2,1-3H3
InChIKey
MHZZUEJIMXLOJJ-UHFFFAOYSA-N
Compound name
1-(pentan-3-ylamino)propan-2-yl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.18378 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19106 166.6
[M+Na]+ 287.17300 170.1
[M-H]- 263.17650 169.0
[M+NH4]+ 282.21760 182.2
[M+K]+ 303.14694 168.4
[M+H-H2O]+ 247.18104 159.2
[M+HCOO]- 309.18198 188.2
[M+CH3COO]- 323.19763 205.0
[M+Na-2H]- 285.15845 166.5
[M]+ 264.18323 166.7
[M]- 264.18433 166.7
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.