CID 135770328

Brn 5994123

Structural Information

Molecular Formula
C21H16ClN5
SMILES
C1=CC=C(C=C1)N/N=C(/C2=CNC3=CC=CC=C32)\N=NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H16ClN5/c22-15-10-12-17(13-11-15)25-27-21(26-24-16-6-2-1-3-7-16)19-14-23-20-9-5-4-8-18(19)20/h1-14,23-24H/b26-21-,27-25?
InChIKey
BSZPMZKQXQFANH-KDHGYWTRSA-N
Compound name
N'-anilino-N-(4-chlorophenyl)imino-1H-indole-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.10944 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11672 185.9
[M+Na]+ 396.09866 193.5
[M-H]- 372.10216 197.7
[M+NH4]+ 391.14326 199.8
[M+K]+ 412.07260 186.0
[M+H-H2O]+ 356.10670 175.2
[M+HCOO]- 418.10764 211.6
[M+CH3COO]- 432.12329 196.9
[M+Na-2H]- 394.08411 194.0
[M]+ 373.10889 188.5
[M]- 373.10999 188.5
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.