CID 15955653

Schembl6819146

Structural Information

Molecular Formula
C24H25FN4OS
SMILES
CC(C1=CC=C(C=C1)F)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C24H25FN4OS/c1-16(17-4-8-19(25)9-5-17)26-24(31)28-21-12-10-20(11-13-21)27-23(30)18-6-14-22(15-7-18)29(2)3/h4-16H,1-3H3,(H,27,30)(H2,26,28,31)
InChIKey
FVRVFRZKHOOQBD-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

436.1733 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.18058 204.7
[M+Na]+ 459.16252 207.3
[M-H]- 435.16602 213.3
[M+NH4]+ 454.20712 213.3
[M+K]+ 475.13646 201.9
[M+H-H2O]+ 419.17056 193.1
[M+HCOO]- 481.17150 222.5
[M+CH3COO]- 495.18715 241.9
[M+Na-2H]- 457.14797 203.6
[M]+ 436.17275 203.5
[M]- 436.17385 203.5
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