CID 6011590

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-WQRHYEAKSA-N
Compound name
1-[(Z)-[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 171.9
[M+Na]+ 339.10500 177.4
[M-H]- 315.10850 179.7
[M+NH4]+ 334.14960 186.8
[M+K]+ 355.07894 172.7
[M+H-H2O]+ 299.11304 161.6
[M+HCOO]- 361.11398 194.4
[M+CH3COO]- 375.12963 219.6
[M+Na-2H]- 337.09045 174.6
[M]+ 316.11523 171.6
[M]- 316.11633 171.6
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.