CID 6865087

303106-10-7

Structural Information

Molecular Formula
C19H14BrFN4O
SMILES
C1CC2=C(NN=C2C3=CC=CC=C31)C(=O)N/N=C/C4=C(C=CC(=C4)Br)F
InChI
InChI=1S/C19H14BrFN4O/c20-13-6-8-16(21)12(9-13)10-22-25-19(26)18-15-7-5-11-3-1-2-4-14(11)17(15)23-24-18/h1-4,6,8-10H,5,7H2,(H,23,24)(H,25,26)/b22-10+
InChIKey
NWOJMBCJXPANOQ-LSHDLFTRSA-N
Compound name
N-[(E)-(5-bromo-2-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

412.0335 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.04078 188.2
[M+Na]+ 435.02272 198.5
[M-H]- 411.02622 195.2
[M+NH4]+ 430.06732 202.9
[M+K]+ 450.99666 184.3
[M+H-H2O]+ 395.03076 184.2
[M+HCOO]- 457.03170 205.2
[M+CH3COO]- 471.04735 199.0
[M+Na-2H]- 433.00817 192.9
[M]+ 412.03295 204.0
[M]- 412.03405 204.0
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

No patent data available for this compound.