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 197.8
[M+Na]+ 399.14275 206.5
[M-H]- 375.14625 200.8
[M+NH4]+ 394.18735 207.9
[M+K]+ 415.11669 199.1
[M+H-H2O]+ 359.15079 182.2
[M+HCOO]- 421.15173 215.0
[M+CH3COO]- 435.16738 229.2
[M+Na-2H]- 397.12820 196.9
[M]+ 376.15298 193.5
[M]- 376.15408 193.5
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.