CID 3075596

187231-60-3

Structural Information

Molecular Formula
C18H17FN4O4
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)C2=C(C3=C(C=C(C=C3)F)N=N2)N
InChI
InChI=1S/C18H17FN4O4/c1-25-13-7-10(8-14(26-2)17(13)27-3)21-18(24)16-15(20)11-5-4-9(19)6-12(11)22-23-16/h4-8H,1-3H3,(H2,20,22)(H,21,24)
InChIKey
RJEHBQQGLZNCAK-UHFFFAOYSA-N
Compound name
4-amino-7-fluoro-N-(3,4,5-trimethoxyphenyl)cinnoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.12338 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.13066 186.9
[M+Na]+ 395.11260 196.2
[M-H]- 371.11610 191.2
[M+NH4]+ 390.15720 196.8
[M+K]+ 411.08654 192.3
[M+H-H2O]+ 355.12064 175.6
[M+HCOO]- 417.12158 207.0
[M+CH3COO]- 431.13723 224.6
[M+Na-2H]- 393.09805 190.1
[M]+ 372.12283 190.3
[M]- 372.12393 190.3
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.