CID 31883

M-butoxy-n-phenyl-carbanilic acid 2-diethylaminoethyl ester hydrochloride

Structural Information

Molecular Formula
C23H32N2O3
SMILES
CCCCOC1=CC=CC(=C1)N(C2=CC=CC=C2)C(=O)OCCN(CC)CC
InChI
InChI=1S/C23H32N2O3/c1-4-7-17-27-22-15-11-14-21(19-22)25(20-12-9-8-10-13-20)23(26)28-18-16-24(5-2)6-3/h8-15,19H,4-7,16-18H2,1-3H3
InChIKey
QZXOZUCLQGQYOJ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl N-(3-butoxyphenyl)-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2413 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.24858 198.8
[M+Na]+ 407.23052 200.6
[M-H]- 383.23402 206.5
[M+NH4]+ 402.27512 210.5
[M+K]+ 423.20446 199.2
[M+H-H2O]+ 367.23856 188.1
[M+HCOO]- 429.23950 222.8
[M+CH3COO]- 443.25515 231.3
[M+Na-2H]- 405.21597 199.2
[M]+ 384.24075 205.1
[M]- 384.24185 205.1
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.