CID 44723967

303104-01-0

Structural Information

Molecular Formula
C19H15FN4O
SMILES
C1CC2=C(NN=C2C3=CC=CC=C31)C(=O)N/N=C/C4=CC(=CC=C4)F
InChI
InChI=1S/C19H15FN4O/c20-14-6-3-4-12(10-14)11-21-24-19(25)18-16-9-8-13-5-1-2-7-15(13)17(16)22-23-18/h1-7,10-11H,8-9H2,(H,22,23)(H,24,25)/b21-11+
InChIKey
FYZAGIGIPSLYAD-SRZZPIQSSA-N
Compound name
N-[(E)-(3-fluorophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.123 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13028 174.5
[M+Na]+ 357.11222 181.9
[M-H]- 333.11572 179.0
[M+NH4]+ 352.15682 188.4
[M+K]+ 373.08616 174.8
[M+H-H2O]+ 317.12026 163.9
[M+HCOO]- 379.12120 194.0
[M+CH3COO]- 393.13685 184.3
[M+Na-2H]- 355.09767 179.7
[M]+ 334.12245 171.4
[M]- 334.12355 171.4
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.