CID 135543184

171853-07-9

Structural Information

Molecular Formula
C17H19N5O
SMILES
CN1CCN(CC1)C(=N)/C(=C/C2=C(C3=CC=CC=C3N2)O)/C#N
InChI
InChI=1S/C17H19N5O/c1-21-6-8-22(9-7-21)17(19)12(11-18)10-15-16(23)13-4-2-3-5-14(13)20-15/h2-5,10,19-20,23H,6-9H2,1H3/b12-10+,19-17?
InChIKey
ILIBKEDXRYSWSQ-CUYZKFRNSA-N
Compound name
(E)-3-(3-hydroxy-1H-indol-2-yl)-2-(4-methylpiperazine-1-carboximidoyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.15897 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.166246 177.2
[M+Na]+ 332.148188 184.5
[M-H]- 308.151694 176.1
[M+NH4]+ 327.192793 186.9
[M+K]+ 348.122128 176.3
[M+H-H2O]+ 292.156230 161.1
[M+HCOO]- 354.157171 187.4
[M+CH3COO]- 368.172821 183.5
[M+Na-2H]- 330.133636 176.5
[M]+ 309.15842142 165.9
[M]- 309.15951858 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.