CID 50749

P-aminobenzoic acid (2-(isopentylamino)-1-methyl)ethyl ester hydrochloride

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CC(C)CCNCC(C)OC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C15H24N2O2/c1-11(2)8-9-17-10-12(3)19-15(18)13-4-6-14(16)7-5-13/h4-7,11-12,17H,8-10,16H2,1-3H3
InChIKey
MYQQAZNDVLATDB-UHFFFAOYSA-N
Compound name
1-(3-methylbutylamino)propan-2-yl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.18378 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.191056 166.6
[M+Na]+ 287.172998 170.1
[M-H]- 263.176504 169.0
[M+NH4]+ 282.217603 182.2
[M+K]+ 303.146938 168.4
[M+H-H2O]+ 247.181040 159.2
[M+HCOO]- 309.181981 188.2
[M+CH3COO]- 323.197631 205.0
[M+Na-2H]- 285.158446 166.5
[M]+ 264.18323142 166.7
[M]- 264.18432858 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.