CID 3078979

123575-25-7

Structural Information

Molecular Formula
C23H26FN3O2
SMILES
CC(COC1=CC=C(C=C1)N2C(=O)CC3CCC4=C(C3=N2)C=C(C=C4)F)N(C)C
InChI
InChI=1S/C23H26FN3O2/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/h6-11,13,15,17H,4-5,12,14H2,1-3H3
InChIKey
OIWZUYYBDKDKHN-UHFFFAOYSA-N
Compound name
2-[4-[2-(dimethylamino)propoxy]phenyl]-9-fluoro-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

395.2009 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.20818 197.3
[M+Na]+ 418.19012 202.8
[M-H]- 394.19362 201.7
[M+NH4]+ 413.23472 207.5
[M+K]+ 434.16406 197.7
[M+H-H2O]+ 378.19816 184.7
[M+HCOO]- 440.19910 210.5
[M+CH3COO]- 454.21475 204.9
[M+Na-2H]- 416.17557 198.0
[M]+ 395.20035 196.1
[M]- 395.20145 196.1
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