CID 483164

Schembl6212519

Structural Information

Molecular Formula
C19H20FN3O3
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CC5CCNC5C4)F)C(=O)O
InChI
InChI=1S/C19H20FN3O3/c20-14-5-12-16(6-17(14)22-7-10-3-4-21-15(10)9-22)23(11-1-2-11)8-13(18(12)24)19(25)26/h5-6,8,10-11,15,21H,1-4,7,9H2,(H,25,26)
InChIKey
IRVHDRHOLPPAKG-UHFFFAOYSA-N
Compound name
7-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

357.14886 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15614 184.9
[M+Na]+ 380.13808 194.8
[M-H]- 356.14158 189.4
[M+NH4]+ 375.18268 193.2
[M+K]+ 396.11202 186.0
[M+H-H2O]+ 340.14612 176.9
[M+HCOO]- 402.14706 196.2
[M+CH3COO]- 416.16271 193.1
[M+Na-2H]- 378.12353 180.7
[M]+ 357.14831 183.4
[M]- 357.14941 183.4
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