CID 501342

Schembl7260307

Structural Information

Molecular Formula
C18H18F2N4O2
SMILES
CCN(CCO)C1=C(C=C(C(=C1)C(=O)NC2=CC3=C(C=C2)C=NN3)F)F
InChI
InChI=1S/C18H18F2N4O2/c1-2-24(5-6-25)17-8-13(14(19)9-15(17)20)18(26)22-12-4-3-11-10-21-23-16(11)7-12/h3-4,7-10,25H,2,5-6H2,1H3,(H,21,23)(H,22,26)
InChIKey
LMTHCOFNZUVTMU-UHFFFAOYSA-N
Compound name
5-[ethyl(2-hydroxyethyl)amino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

360.13977 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.14705 181.2
[M+Na]+ 383.12899 189.3
[M-H]- 359.13249 183.2
[M+NH4]+ 378.17359 192.8
[M+K]+ 399.10293 183.4
[M+H-H2O]+ 343.13703 170.3
[M+HCOO]- 405.13797 200.6
[M+CH3COO]- 419.15362 218.7
[M+Na-2H]- 381.11444 183.1
[M]+ 360.13922 180.9
[M]- 360.14032 180.9
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.