CID 6862011

314076-16-9

Structural Information

Molecular Formula
C22H17ClFN3O
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3N2CCC(=O)N/N=C/C4=C(C=CC=C4Cl)F
InChI
InChI=1S/C22H17ClFN3O/c23-18-8-5-9-19(24)17(18)14-25-26-22(28)12-13-27-20-10-3-1-6-15(20)16-7-2-4-11-21(16)27/h1-11,14H,12-13H2,(H,26,28)/b25-14+
InChIKey
VBVKMIRTEFNVJR-AFUMVMLFSA-N
Compound name
3-carbazol-9-yl-N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.10443 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.11171 192.8
[M+Na]+ 416.09365 202.9
[M-H]- 392.09715 200.1
[M+NH4]+ 411.13825 207.6
[M+K]+ 432.06759 194.3
[M+H-H2O]+ 376.10169 182.6
[M+HCOO]- 438.10263 212.0
[M+CH3COO]- 452.11828 203.3
[M+Na-2H]- 414.07910 196.9
[M]+ 393.10388 197.5
[M]- 393.10498 197.5
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.