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

5
Patents

395.2009 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.208176 197.3
[M+Na]+ 418.190118 202.8
[M-H]- 394.193624 201.7
[M+NH4]+ 413.234723 207.5
[M+K]+ 434.164058 197.7
[M+H-H2O]+ 378.198160 184.7
[M+HCOO]- 440.199101 210.5
[M+CH3COO]- 454.214751 204.9
[M+Na-2H]- 416.175566 198.0
[M]+ 395.20035142 196.1
[M]- 395.20144858 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