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]+ 323.19655 179.8
[M+Na]+ 345.17849 182.2
[M-H]- 321.18199 182.4
[M+NH4]+ 340.22309 193.0
[M+K]+ 361.15243 181.6
[M+H-H2O]+ 305.18653 171.7
[M+HCOO]- 367.18747 201.0
[M+CH3COO]- 381.20312 215.2
[M+Na-2H]- 343.16394 178.8
[M]+ 322.18872 183.0
[M]- 322.18982 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.