CID 11717760

Schembl4801984

Structural Information

Molecular Formula
C18H18F2N4O3
SMILES
C1=CC(=C(C=C1F)F)CN2C=C(C3=CC(=NC=C32)C(=O)NO)CNCCO
InChI
InChI=1S/C18H18F2N4O3/c19-13-2-1-11(15(20)5-13)9-24-10-12(7-21-3-4-25)14-6-16(18(26)23-27)22-8-17(14)24/h1-2,5-6,8,10,21,25,27H,3-4,7,9H2,(H,23,26)
InChIKey
XSKOOENDMSOAOL-UHFFFAOYSA-N
Compound name
1-[(2,4-difluorophenyl)methyl]-N-hydroxy-3-[(2-hydroxyethylamino)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

376.1347 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14198 183.7
[M+Na]+ 399.12392 192.3
[M-H]- 375.12742 184.7
[M+NH4]+ 394.16852 194.2
[M+K]+ 415.09786 185.8
[M+H-H2O]+ 359.13196 173.0
[M+HCOO]- 421.13290 202.7
[M+CH3COO]- 435.14855 219.1
[M+Na-2H]- 397.10937 185.8
[M]+ 376.13415 184.0
[M]- 376.13525 184.0
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