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]+ 345.17098 194.3
[M+Na]+ 367.15292 201.7
[M-H]- 343.15642 196.7
[M+NH4]+ 362.19752 205.2
[M+K]+ 383.12686 193.0
[M+H-H2O]+ 327.16096 178.7
[M+HCOO]- 389.16190 210.3
[M+CH3COO]- 403.17755 223.8
[M+Na-2H]- 365.13837 193.3
[M]+ 344.16315 186.3
[M]- 344.16425 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.