CID 135543608

Brn 5984564

Structural Information

Molecular Formula
C21H17N5
SMILES
C1=CC=C(C=C1)N/N=C(/C2=CNC3=CC=CC=C32)\N=NC4=CC=CC=C4
InChI
InChI=1S/C21H17N5/c1-3-9-16(10-4-1)23-25-21(26-24-17-11-5-2-6-12-17)19-15-22-20-14-8-7-13-18(19)20/h1-15,22-23H/b25-21-,26-24?
InChIKey
PLXLITZUXZPTFP-GIMNODSFSA-N
Compound name
N'-anilino-N-phenylimino-1H-indole-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1484 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15568 174.4
[M+Na]+ 362.13762 180.3
[M-H]- 338.14112 186.3
[M+NH4]+ 357.18222 188.5
[M+K]+ 378.11156 174.3
[M+H-H2O]+ 322.14566 163.2
[M+HCOO]- 384.14660 204.8
[M+CH3COO]- 398.16225 185.7
[M+Na-2H]- 360.12307 184.2
[M]+ 339.14785 174.1
[M]- 339.14895 174.1
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

No patent data available for this compound.