CID 28065296

(4-isothiocyanatophenyl)(3-methylphenyl)amine

Structural Information

Molecular Formula
C14H12N2S
SMILES
CC1=CC(=CC=C1)NC2=CC=C(C=C2)N=C=S
InChI
InChI=1S/C14H12N2S/c1-11-3-2-4-14(9-11)16-13-7-5-12(6-8-13)15-10-17/h2-9,16H,1H3
InChIKey
IKNZSUFASUBAOW-UHFFFAOYSA-N
Compound name
N-(4-isothiocyanatophenyl)-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

240.07211 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.07939 153.2
[M+Na]+ 263.06133 167.5
[M+NH4]+ 258.10593 163.0
[M+K]+ 279.03527 156.4
[M-H]- 239.06483 160.1
[M+Na-2H]- 261.04678 163.6
[M]+ 240.07156 157.8
[M]- 240.07266 157.8
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

patents stripe