CID 3066346

P-carboxycarbanilic acid p-(2-(diethylamino)ethyl) propyl ester hydrochloride

Structural Information

Molecular Formula
C17H26N2O4
SMILES
CCC(CCN(CC)CC)OC(=O)C1=CC=C(C=C1)NC(=O)O
InChI
InChI=1S/C17H26N2O4/c1-4-15(11-12-19(5-2)6-3)23-16(20)13-7-9-14(10-8-13)18-17(21)22/h7-10,15,18H,4-6,11-12H2,1-3H3,(H,21,22)
InChIKey
NOQBSJNXRWSBTJ-UHFFFAOYSA-N
Compound name
[4-[1-(diethylamino)pentan-3-yloxycarbonyl]phenyl]carbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.18927 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.196546 179.8
[M+Na]+ 345.178488 182.2
[M-H]- 321.181994 182.4
[M+NH4]+ 340.223093 193.0
[M+K]+ 361.152428 181.6
[M+H-H2O]+ 305.186530 171.7
[M+HCOO]- 367.187471 201.0
[M+CH3COO]- 381.203121 215.2
[M+Na-2H]- 343.163936 178.8
[M]+ 322.18872142 183.0
[M]- 322.18981858 183.0
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

No patent data available for this compound.