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]+ 279.095046 162.0
[M+Na]+ 301.076988 169.6
[M-H]- 277.080494 173.4
[M+NH4]+ 296.121593 180.2
[M+K]+ 317.050928 163.7
[M+H-H2O]+ 261.085030 153.7
[M+HCOO]- 323.085971 186.4
[M+CH3COO]- 337.101621 174.8
[M+Na-2H]- 299.062436 166.2
[M]+ 278.08722142 162.9
[M]- 278.08831858 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.