CID 5277328

[3-(anilinomethyl)phenyl]thiourea

Structural Information

Molecular Formula
C14H15N3S
SMILES
C1=CC=C(C=C1)NCC2=CC(=CC=C2)NC(=S)N
InChI
InChI=1S/C14H15N3S/c15-14(18)17-13-8-4-5-11(9-13)10-16-12-6-2-1-3-7-12/h1-9,16H,10H2,(H3,15,17,18)
InChIKey
MFNMEVZRVFGONB-UHFFFAOYSA-N
Compound name
[3-(anilinomethyl)phenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

257.09866 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10594 155.8
[M+Na]+ 280.08788 161.2
[M-H]- 256.09138 161.7
[M+NH4]+ 275.13248 171.7
[M+K]+ 296.06182 155.4
[M+H-H2O]+ 240.09592 147.8
[M+HCOO]- 302.09686 176.4
[M+CH3COO]- 316.11251 200.5
[M+Na-2H]- 278.07333 159.7
[M]+ 257.09811 153.0
[M]- 257.09921 153.0
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