CID 501357

Schembl7255691

Structural Information

Molecular Formula
C20H21F2N5O2
SMILES
C1CN(CCN1CCO)C2=C(C=C(C(=C2)C(=O)NC3=CC4=C(C=C3)C=NN4)F)F
InChI
InChI=1S/C20H21F2N5O2/c21-16-11-17(22)19(27-5-3-26(4-6-27)7-8-28)10-15(16)20(29)24-14-2-1-13-12-23-25-18(13)9-14/h1-2,9-12,28H,3-8H2,(H,23,25)(H,24,29)
InChIKey
LUMLAJAVOADZJX-UHFFFAOYSA-N
Compound name
2,4-difluoro-5-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1H-indazol-6-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

401.16632 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.17360 193.6
[M+Na]+ 424.15554 200.6
[M-H]- 400.15904 194.1
[M+NH4]+ 419.20014 199.9
[M+K]+ 440.12948 192.2
[M+H-H2O]+ 384.16358 180.6
[M+HCOO]- 446.16452 204.8
[M+CH3COO]- 460.18017 200.0
[M+Na-2H]- 422.14099 193.0
[M]+ 401.16577 188.1
[M]- 401.16687 188.1
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