CID 3078977

9-fluoro-2-(4-(2-dimethylaminopropoxy)phenyl)-5,6-dihydrobenzo(h)cinnolin-3(2h)-one fumarate

Structural Information

Molecular Formula
C23H24FN3O2
SMILES
CC(COC1=CC=C(C=C1)N2C(=O)C=C3CCC4=C(C3=N2)C=C(C=C4)F)N(C)C
InChI
InChI=1S/C23H24FN3O2/c1-15(26(2)3)14-29-20-10-8-19(9-11-20)27-22(28)12-17-5-4-16-6-7-18(24)13-21(16)23(17)25-27/h6-13,15H,4-5,14H2,1-3H3
InChIKey
IHHFBGZCIVCQMM-UHFFFAOYSA-N
Compound name
2-[4-[2-(dimethylamino)propoxy]phenyl]-9-fluoro-5,6-dihydrobenzo[h]cinnolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

393.18524 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.19252 196.3
[M+Na]+ 416.17446 203.8
[M-H]- 392.17796 201.6
[M+NH4]+ 411.21906 206.8
[M+K]+ 432.14840 198.3
[M+H-H2O]+ 376.18250 183.6
[M+HCOO]- 438.18344 212.3
[M+CH3COO]- 452.19909 204.9
[M+Na-2H]- 414.15991 198.9
[M]+ 393.18469 198.0
[M]- 393.18579 198.0
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

patents stripe