CID 501362

2,4-difluoro-n-(1h-indazol-6-yl)-5-(4-methyl-1,4-diazepan-5-yl)benzamide

Structural Information

Molecular Formula
C20H21F2N5O
SMILES
CN1CCNCCC1C2=CC(=C(C=C2F)F)C(=O)NC3=CC4=C(C=C3)C=NN4
InChI
InChI=1S/C20H21F2N5O/c1-27-7-6-23-5-4-19(27)14-9-15(17(22)10-16(14)21)20(28)25-13-3-2-12-11-24-26-18(12)8-13/h2-3,8-11,19,23H,4-7H2,1H3,(H,24,26)(H,25,28)
InChIKey
QEEULZKVDIBJSX-UHFFFAOYSA-N
Compound name
2,4-difluoro-N-(1H-indazol-6-yl)-5-(4-methyl-1,4-diazepan-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.17142 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.17870 189.8
[M+Na]+ 408.16064 196.8
[M-H]- 384.16414 192.2
[M+NH4]+ 403.20524 196.8
[M+K]+ 424.13458 192.7
[M+H-H2O]+ 368.16868 176.6
[M+HCOO]- 430.16962 201.2
[M+CH3COO]- 444.18527 196.6
[M+Na-2H]- 406.14609 189.0
[M]+ 385.17087 180.7
[M]- 385.17197 180.7
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.