CID 383652

Nsc672070

Structural Information

Molecular Formula
C14H14F3N5O3S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC(F)(F)F)C
InChI
InChI=1S/C14H14F3N5O3S/c1-8-7-9(2)19-12(18-8)22-26(24,25)11-5-3-10(4-6-11)20-13(23)21-14(15,16)17/h3-7H,1-2H3,(H,18,19,22)(H2,20,21,23)
InChIKey
KYYKFZMKHPTGLP-UHFFFAOYSA-N
Compound name
1-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.07693 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.08421 183.5
[M+Na]+ 412.06615 191.1
[M-H]- 388.06965 184.2
[M+NH4]+ 407.11075 191.7
[M+K]+ 428.04009 185.7
[M+H-H2O]+ 372.07419 171.9
[M+HCOO]- 434.07513 196.7
[M+CH3COO]- 448.09078 221.6
[M+Na-2H]- 410.05160 188.0
[M]+ 389.07638 181.4
[M]- 389.07748 181.4
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.