CID 171370238

3-[(z)-[(1h-indol-4-yl)methylidene]amino]-1-(4-methylphenyl)thiourea

Structural Information

Molecular Formula
C17H16N4S
SMILES
CC1=CC=C(C=C1)NC(=S)N/N=C/C2=C3C=CNC3=CC=C2
InChI
InChI=1S/C17H16N4S/c1-12-5-7-14(8-6-12)20-17(22)21-19-11-13-3-2-4-16-15(13)9-10-18-16/h2-11,18H,1H3,(H2,20,21,22)/b19-11+
InChIKey
VJJRLTBWDRIQIC-YBFXNURJSA-N
Compound name
1-[(E)-1H-indol-4-ylmethylideneamino]-3-(4-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.10956 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.11684 170.0
[M+Na]+ 331.09878 182.0
[M+NH4]+ 326.14338 178.4
[M+K]+ 347.07272 173.6
[M-H]- 307.10228 175.8
[M+Na-2H]- 329.08423 178.5
[M]+ 308.10901 173.7
[M]- 308.11011 173.7
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.