CID 135770327

Brn 6000256

Structural Information

Molecular Formula
C22H18FN5
SMILES
CC1=CC=CC=C1N=N/C(=N\NC2=CC(=CC=C2)F)/C3=CNC4=CC=CC=C43
InChI
InChI=1S/C22H18FN5/c1-15-7-2-4-11-20(15)26-28-22(27-25-17-9-6-8-16(23)13-17)19-14-24-21-12-5-3-10-18(19)21/h2-14,24-25H,1H3/b27-22-,28-26?
InChIKey
QSHKRAQILISJAA-UNPVRDCYSA-N
Compound name
N'-(3-fluoroanilino)-N-(2-methylphenyl)imino-1H-indole-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.15463 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.16191 184.6
[M+Na]+ 394.14385 191.9
[M-H]- 370.14735 195.7
[M+NH4]+ 389.18845 197.9
[M+K]+ 410.11779 185.3
[M+H-H2O]+ 354.15189 172.5
[M+HCOO]- 416.15283 213.5
[M+CH3COO]- 430.16848 195.5
[M+Na-2H]- 392.12930 191.6
[M]+ 371.15408 184.4
[M]- 371.15518 184.4
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.