CID 3075592

187231-55-6

Structural Information

Molecular Formula
C15H18FN5O2
SMILES
C1COCCN1CCNC(=O)C2=C(C3=C(C=C(C=C3)F)N=N2)N
InChI
InChI=1S/C15H18FN5O2/c16-10-1-2-11-12(9-10)19-20-14(13(11)17)15(22)18-3-4-21-5-7-23-8-6-21/h1-2,9H,3-8H2,(H2,17,19)(H,18,22)
InChIKey
TXFHGUDASLGELW-UHFFFAOYSA-N
Compound name
4-amino-7-fluoro-N-(2-morpholin-4-ylethyl)cinnoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.14444 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.15172 175.0
[M+Na]+ 342.13366 180.7
[M-H]- 318.13716 176.7
[M+NH4]+ 337.17826 183.7
[M+K]+ 358.10760 176.8
[M+H-H2O]+ 302.14170 163.2
[M+HCOO]- 364.14264 189.4
[M+CH3COO]- 378.15829 183.2
[M+Na-2H]- 340.11911 179.4
[M]+ 319.14389 170.3
[M]- 319.14499 170.3
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.