CID 1809564

N-(2-methylphenyl)-2-phenylhydrazinecarbothioamide

Structural Information

Molecular Formula
C14H15N3S
SMILES
CC1=CC=CC=C1NC(=S)NNC2=CC=CC=C2
InChI
InChI=1S/C14H15N3S/c1-11-7-5-6-10-13(11)15-14(18)17-16-12-8-3-2-4-9-12/h2-10,16H,1H3,(H2,15,17,18)
InChIKey
SGHAHWGATWZXEX-UHFFFAOYSA-N
Compound name
1-anilino-3-(2-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.09866 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10594 155.9
[M+Na]+ 280.08788 161.4
[M-H]- 256.09138 162.4
[M+NH4]+ 275.13248 172.2
[M+K]+ 296.06182 156.0
[M+H-H2O]+ 240.09592 147.9
[M+HCOO]- 302.09686 177.2
[M+CH3COO]- 316.11251 200.4
[M+Na-2H]- 278.07333 160.8
[M]+ 257.09811 154.0
[M]- 257.09921 154.0
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