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

literature stripe

Patent stripe

patents stripe