CID 11639100

Schembl4804980

Structural Information

Molecular Formula
C18H17F2N3O3
SMILES
COCC1=C2C=CN(C2=CN=C1C(=O)NOC)CC3=C(C=C(C=C3)F)F
InChI
InChI=1S/C18H17F2N3O3/c1-25-10-14-13-5-6-23(9-11-3-4-12(19)7-15(11)20)16(13)8-21-17(14)18(24)22-26-2/h3-8H,9-10H2,1-2H3,(H,22,24)
InChIKey
IVBNUNXLSBYNJB-UHFFFAOYSA-N
Compound name
1-[(2,4-difluorophenyl)methyl]-N-methoxy-4-(methoxymethyl)pyrrolo[2,3-c]pyridine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

361.1238 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.13108 181.7
[M+Na]+ 384.11302 192.2
[M-H]- 360.11652 185.4
[M+NH4]+ 379.15762 194.6
[M+K]+ 400.08696 187.1
[M+H-H2O]+ 344.12106 170.6
[M+HCOO]- 406.12200 202.6
[M+CH3COO]- 420.13765 218.3
[M+Na-2H]- 382.09847 183.6
[M]+ 361.12325 186.2
[M]- 361.12435 186.2
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