CID 135801097

171853-11-5

Structural Information

Molecular Formula
C21H20N4O3
SMILES
COC1=C(C=C(C=C1)CN=C(/C(=C\C2=C(C3=CC=CC=C3N2)O)/C#N)N)OC
InChI
InChI=1S/C21H20N4O3/c1-27-18-8-7-13(9-19(18)28-2)12-24-21(23)14(11-22)10-17-20(26)15-5-3-4-6-16(15)25-17/h3-10,25-26H,12H2,1-2H3,(H2,23,24)/b14-10-
InChIKey
RHRPWCYJCVDQIX-UVTDQMKNSA-N
Compound name
(Z)-2-cyano-N'-[(3,4-dimethoxyphenyl)methyl]-3-(3-hydroxy-1H-indol-2-yl)prop-2-enimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.15353 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.16081 193.6
[M+Na]+ 399.14275 203.8
[M+NH4]+ 394.18735 195.4
[M+K]+ 415.11669 196.1
[M-H]- 375.14625 188.8
[M+Na-2H]- 397.12820 195.2
[M]+ 376.15298 192.6
[M]- 376.15408 192.6
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.