CID 22306

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

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CC(C)N(CCOC(=O)C1=CC=C(C=C1)N)C(C)C
InChI
InChI=1S/C15H24N2O2/c1-11(2)17(12(3)4)9-10-19-15(18)13-5-7-14(16)8-6-13/h5-8,11-12H,9-10,16H2,1-4H3
InChIKey
YRWIQNLXLDWTKU-UHFFFAOYSA-N
Compound name
2-[di(propan-2-yl)amino]ethyl 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]+ 265.19106 166.6
[M+Na]+ 287.17300 170.3
[M-H]- 263.17650 170.5
[M+NH4]+ 282.21760 182.9
[M+K]+ 303.14694 170.0
[M+H-H2O]+ 247.18104 159.1
[M+HCOO]- 309.18198 188.7
[M+CH3COO]- 323.19763 208.4
[M+Na-2H]- 285.15845 165.8
[M]+ 264.18323 168.0
[M]- 264.18433 168.0
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