CID 501338

Schembl7261196

Structural Information

Molecular Formula
C18H19F2N5O
SMILES
CN(C)CCNC1=C(C=C(C(=C1)C(=O)NC2=CC3=C(C=C2)C=NN3)F)F
InChI
InChI=1S/C18H19F2N5O/c1-25(2)6-5-21-17-8-13(14(19)9-15(17)20)18(26)23-12-4-3-11-10-22-24-16(11)7-12/h3-4,7-10,21H,5-6H2,1-2H3,(H,22,24)(H,23,26)
InChIKey
QQRPFUOGKHOMGD-UHFFFAOYSA-N
Compound name
5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

359.15576 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.16304 181.4
[M+Na]+ 382.14498 189.2
[M-H]- 358.14848 184.7
[M+NH4]+ 377.18958 193.5
[M+K]+ 398.11892 183.5
[M+H-H2O]+ 342.15302 170.0
[M+HCOO]- 404.15396 203.1
[M+CH3COO]- 418.16961 224.0
[M+Na-2H]- 380.13043 184.3
[M]+ 359.15521 180.9
[M]- 359.15631 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.