CID 5357217

Mls002693858

Structural Information

Molecular Formula
C16H17FN4S
SMILES
CN(C)C1=CC=C(C=C1)/C=N/NC(=S)NC2=CC=C(C=C2)F
InChI
InChI=1S/C16H17FN4S/c1-21(2)15-9-3-12(4-10-15)11-18-20-16(22)19-14-7-5-13(17)6-8-14/h3-11H,1-2H3,(H2,19,20,22)/b18-11+
InChIKey
XNSVKXZUVDXPAA-WOJGMQOQSA-N
Compound name
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-(4-fluorophenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.11578 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12306 170.9
[M+Na]+ 339.10500 180.8
[M+NH4]+ 334.14960 178.4
[M+K]+ 355.07894 171.7
[M-H]- 315.10850 176.5
[M+Na-2H]- 337.09045 179.4
[M]+ 316.11523 174.1
[M]- 316.11633 174.1
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.