CID 501344

Schembl7255640

Structural Information

Molecular Formula
C20H21F2N5O
SMILES
C1CCN(C1)CCNC2=C(C=C(C(=C2)C(=O)NC3=CC4=C(C=C3)NN=C4)F)F
InChI
InChI=1S/C20H21F2N5O/c21-16-11-17(22)19(23-5-8-27-6-1-2-7-27)10-15(16)20(28)25-14-3-4-18-13(9-14)12-24-26-18/h3-4,9-12,23H,1-2,5-8H2,(H,24,26)(H,25,28)
InChIKey
ALRCJNJYGNWFEF-UHFFFAOYSA-N
Compound name
2,4-difluoro-N-(1H-indazol-5-yl)-5-(2-pyrrolidin-1-ylethylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

385.17142 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.17870 185.5
[M+Na]+ 408.16064 192.2
[M-H]- 384.16414 189.2
[M+NH4]+ 403.20524 196.2
[M+K]+ 424.13458 184.7
[M+H-H2O]+ 368.16868 173.6
[M+HCOO]- 430.16962 203.1
[M+CH3COO]- 444.18527 193.8
[M+Na-2H]- 406.14609 185.3
[M]+ 385.17087 181.5
[M]- 385.17197 181.5
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