CID 3006078

150093-92-8

Structural Information

Molecular Formula
C16H15N3S
SMILES
CC1=C(N(C(=S)N1)NC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H15N3S/c1-12-15(13-8-4-2-5-9-13)19(16(20)17-12)18-14-10-6-3-7-11-14/h2-11,18H,1H3,(H,17,20)
InChIKey
QVTOWPPLGBQSQC-UHFFFAOYSA-N
Compound name
3-anilino-5-methyl-4-phenyl-1H-imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

21
Patents

281.09866 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10594 162.8
[M+Na]+ 304.08788 172.7
[M-H]- 280.09138 169.8
[M+NH4]+ 299.13248 177.8
[M+K]+ 320.06182 164.9
[M+H-H2O]+ 264.09592 154.5
[M+HCOO]- 326.09686 181.1
[M+CH3COO]- 340.11251 174.5
[M+Na-2H]- 302.07333 164.7
[M]+ 281.09811 162.4
[M]- 281.09921 162.4
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