CID 9571561

Nsc682886

Structural Information

Molecular Formula
C18H15ClN4O
SMILES
C1CN(C(=O)N1)/N=C/C2=C(N(C3=CC=CC=C32)C4=CC=CC=C4)Cl
InChI
InChI=1S/C18H15ClN4O/c19-17-15(12-21-22-11-10-20-18(22)24)14-8-4-5-9-16(14)23(17)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,24)/b21-12+
InChIKey
QQPVSOPLFJRVKJ-CIAFOILYSA-N
Compound name
1-[(E)-(2-chloro-1-phenylindol-3-yl)methylideneamino]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.09344 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.10072 179.2
[M+Na]+ 361.08266 189.4
[M-H]- 337.08616 186.6
[M+NH4]+ 356.12726 193.6
[M+K]+ 377.05660 181.4
[M+H-H2O]+ 321.09070 169.1
[M+HCOO]- 383.09164 196.2
[M+CH3COO]- 397.10729 190.0
[M+Na-2H]- 359.06811 180.3
[M]+ 338.09289 180.5
[M]- 338.09399 180.5
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.