CID 135801050

171853-09-1

Structural Information

Molecular Formula
C19H16N4O
SMILES
C1=CC=C(C=C1)CN=C(/C(=C\C2=C(C3=CC=CC=C3N2)O)/C#N)N
InChI
InChI=1S/C19H16N4O/c20-11-14(19(21)22-12-13-6-2-1-3-7-13)10-17-18(24)15-8-4-5-9-16(15)23-17/h1-10,23-24H,12H2,(H2,21,22)/b14-10-
InChIKey
ISPBWMUEHXNNIO-UVTDQMKNSA-N
Compound name
(Z)-N'-benzyl-2-cyano-3-(3-hydroxy-1H-indol-2-yl)prop-2-enimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.13242 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13970 181.9
[M+Na]+ 339.12164 192.7
[M+NH4]+ 334.16624 185.0
[M+K]+ 355.09558 183.9
[M-H]- 315.12514 177.8
[M+Na-2H]- 337.10709 184.9
[M]+ 316.13187 181.2
[M]- 316.13297 181.2
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.