CID 1317528

184177-81-9

Structural Information

Molecular Formula
C23H23N3O3
SMILES
C1CN(CCN1C2=CC=C(C=C2)NC(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)O
InChI
InChI=1S/C23H23N3O3/c27-21-12-10-20(11-13-21)26-16-14-25(15-17-26)19-8-6-18(7-9-19)24-23(28)29-22-4-2-1-3-5-22/h1-13,27H,14-17H2,(H,24,28)
InChIKey
IKRKMYDCUZYKHX-UHFFFAOYSA-N
Compound name
phenyl N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10
Patents

389.17395 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.18123 193.1
[M+Na]+ 412.16317 196.2
[M-H]- 388.16667 200.6
[M+NH4]+ 407.20777 199.2
[M+K]+ 428.13711 190.2
[M+H-H2O]+ 372.17121 180.5
[M+HCOO]- 434.17215 209.0
[M+CH3COO]- 448.18780 200.2
[M+Na-2H]- 410.14862 195.4
[M]+ 389.17340 187.8
[M]- 389.17450 187.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe