CID 501334

Schembl7261239

Structural Information

Molecular Formula
C20H21F2N5O2
SMILES
C1COCCN1CCNC2=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(23-3-4-27-5-7-29-8-6-27)10-15(16)20(28)25-14-2-1-13-12-24-26-18(13)9-14/h1-2,9-12,23H,3-8H2,(H,24,26)(H,25,28)
InChIKey
BNADFTAWROESTC-UHFFFAOYSA-N
Compound name
2,4-difluoro-N-(1H-indazol-6-yl)-5-(2-morpholin-4-ylethylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

401.16632 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.17360 191.8
[M+Na]+ 424.15554 197.8
[M-H]- 400.15904 195.2
[M+NH4]+ 419.20014 198.3
[M+K]+ 440.12948 191.4
[M+H-H2O]+ 384.16358 178.8
[M+HCOO]- 446.16452 206.1
[M+CH3COO]- 460.18017 199.0
[M+Na-2H]- 422.14099 193.6
[M]+ 401.16577 187.3
[M]- 401.16687 187.3
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