CID 501359

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

Structural Information

Molecular Formula
C19H19F2N5O
SMILES
C1CNCCNC1C2=CC(=C(C=C2F)F)C(=O)NC3=CC4=C(C=C3)NN=C4
InChI
InChI=1S/C19H19F2N5O/c20-15-9-16(21)14(8-13(15)18-3-4-22-5-6-23-18)19(27)25-12-1-2-17-11(7-12)10-24-26-17/h1-2,7-10,18,22-23H,3-6H2,(H,24,26)(H,25,27)
InChIKey
RABOQBFHXVHADM-UHFFFAOYSA-N
Compound name
5-(1,4-diazepan-5-yl)-2,4-difluoro-N-(1H-indazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.15576 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.16304 184.4
[M+Na]+ 394.14498 190.6
[M-H]- 370.14848 185.5
[M+NH4]+ 389.18958 191.1
[M+K]+ 410.11892 186.1
[M+H-H2O]+ 354.15302 171.5
[M+HCOO]- 416.15396 194.8
[M+CH3COO]- 430.16961 190.8
[M+Na-2H]- 392.13043 184.7
[M]+ 371.15521 173.1
[M]- 371.15631 173.1
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

No patent data available for this compound.