CID 461409

Pd 115717

Structural Information

Molecular Formula
C19H25FN4O3
SMILES
CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCC(C3)CNC(C)C)F)C(=O)O
InChI
InChI=1S/C19H25FN4O3/c1-4-23-10-14(19(26)27)16(25)13-7-15(20)18(22-17(13)23)24-6-5-12(9-24)8-21-11(2)3/h7,10-12,21H,4-6,8-9H2,1-3H3,(H,26,27)
InChIKey
SOTDKNVZHLTZDT-UHFFFAOYSA-N
Compound name
1-ethyl-6-fluoro-4-oxo-7-[3-[(propan-2-ylamino)methyl]pyrrolidin-1-yl]-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

376.19107 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.19835 190.5
[M+Na]+ 399.18029 197.8
[M-H]- 375.18379 191.9
[M+NH4]+ 394.22489 200.6
[M+K]+ 415.15423 192.5
[M+H-H2O]+ 359.18833 180.5
[M+HCOO]- 421.18927 204.1
[M+CH3COO]- 435.20492 222.4
[M+Na-2H]- 397.16574 187.4
[M]+ 376.19052 190.0
[M]- 376.19162 190.0
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

No patent data available for this compound.