CID 18458010

291279-14-6

Structural Information

Molecular Formula

C₂₃H₁₇NOS

SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(S4)C=O

InChI

InChI=1S/C23H17NOS/c25-17-22-15-16-23(26-22)18-11-13-21(14-12-18)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-17H

InChIKey

DLTDKNZISWUVBJ-UHFFFAOYSA-N

Compound name

5-[4-(N-phenylanilino)phenyl]thiophene-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 355.1031 Da
Monoisotopic Mass: 6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	356.11038	185.3
[M+Na]+	378.09232	192.7
[M-H]-	354.09582	199.6
[M+NH4]+	373.13692	200.0
[M+K]+	394.06626	186.4
[M+H-H2O]+	338.10036	176.0
[M+HCOO]-	400.10130	207.1
[M+CH3COO]-	414.11695	196.8
[M+Na-2H]-	376.07777	186.3
[M]+	355.10255	187.4
[M]-	355.10365	187.4

Literature stripe

literature stripe

Patent stripe

patents stripe