CID 962134

N-phenyl-n'-(2-thienylmethylene)-1,4-phenylenediamine

Structural Information

Molecular Formula
C17H14N2S
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)N=CC3=CC=CS3
InChI
InChI=1S/C17H14N2S/c1-2-5-15(6-3-1)19-16-10-8-14(9-11-16)18-13-17-7-4-12-20-17/h1-13,19H
InChIKey
YQZCWCKDOAXNRT-UHFFFAOYSA-N
Compound name
N-phenyl-4-(thiophen-2-ylmethylideneamino)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.08777 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09505 162.0
[M+Na]+ 301.07699 169.6
[M-H]- 277.08049 173.4
[M+NH4]+ 296.12159 180.2
[M+K]+ 317.05093 163.7
[M+H-H2O]+ 261.08503 153.7
[M+HCOO]- 323.08597 186.4
[M+CH3COO]- 337.10162 174.8
[M+Na-2H]- 299.06244 166.2
[M]+ 278.08722 162.9
[M]- 278.08832 162.9
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.