CID 501347

2,4-difluoro-n-(1h-6-indazolyl)-5-isobutylamino benzamide

Structural Information

Molecular Formula
C18H18F2N4O
SMILES
CC(C)CNC1=C(C=C(C(=C1)C(=O)NC2=CC3=C(C=C2)C=NN3)F)F
InChI
InChI=1S/C18H18F2N4O/c1-10(2)8-21-17-6-13(14(19)7-15(17)20)18(25)23-12-4-3-11-9-22-24-16(11)5-12/h3-7,9-10,21H,8H2,1-2H3,(H,22,24)(H,23,25)
InChIKey
MVJRBFURYSFBES-UHFFFAOYSA-N
Compound name
2,4-difluoro-N-(1H-indazol-6-yl)-5-(2-methylpropylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.14487 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.15215 178.6
[M+Na]+ 367.13409 186.9
[M-H]- 343.13759 180.6
[M+NH4]+ 362.17869 191.0
[M+K]+ 383.10803 180.3
[M+H-H2O]+ 327.14213 167.9
[M+HCOO]- 389.14307 197.8
[M+CH3COO]- 403.15872 216.5
[M+Na-2H]- 365.11954 180.4
[M]+ 344.14432 177.0
[M]- 344.14542 177.0
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.