CID 135492205

171853-15-9

Structural Information

Molecular Formula
C21H20N4O
SMILES
CC(CC1=CC=CC=C1)N=C(/C(=C\C2=C(C3=CC=CC=C3N2)O)/C#N)N
InChI
InChI=1S/C21H20N4O/c1-14(11-15-7-3-2-4-8-15)24-21(23)16(13-22)12-19-20(26)17-9-5-6-10-18(17)25-19/h2-10,12,14,25-26H,11H2,1H3,(H2,23,24)/b16-12-
InChIKey
JWDCBMMKQWYIEP-VBKFSLOCSA-N
Compound name
(Z)-2-cyano-3-(3-hydroxy-1H-indol-2-yl)-N'-(1-phenylpropan-2-yl)prop-2-enimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1637 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.170976 194.3
[M+Na]+ 367.152918 201.7
[M-H]- 343.156424 196.7
[M+NH4]+ 362.197523 205.2
[M+K]+ 383.126858 193.0
[M+H-H2O]+ 327.160960 178.7
[M+HCOO]- 389.161901 210.3
[M+CH3COO]- 403.177551 223.8
[M+Na-2H]- 365.138366 193.3
[M]+ 344.16315142 186.3
[M]- 344.16424858 186.3
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.