CID 27084

P-aminobenzoic acid 2-(diisobutylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C17H28N2O2
SMILES
CC(C)CN(CCOC(=O)C1=CC=C(C=C1)N)CC(C)C
InChI
InChI=1S/C17H28N2O2/c1-13(2)11-19(12-14(3)4)9-10-21-17(20)15-5-7-16(18)8-6-15/h5-8,13-14H,9-12,18H2,1-4H3
InChIKey
PCMJLXZYEPMJOY-UHFFFAOYSA-N
Compound name
2-[bis(2-methylpropyl)amino]ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.2151 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.22238 175.9
[M+Na]+ 315.20432 178.7
[M-H]- 291.20782 179.4
[M+NH4]+ 310.24892 191.1
[M+K]+ 331.17826 177.9
[M+H-H2O]+ 275.21236 168.0
[M+HCOO]- 337.21330 197.3
[M+CH3COO]- 351.22895 214.4
[M+Na-2H]- 313.18977 174.1
[M]+ 292.21455 178.0
[M]- 292.21565 178.0
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

patents stripe