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]+ 310.16625 177.2
[M+Na]+ 332.14819 184.5
[M-H]- 308.15169 176.1
[M+NH4]+ 327.19279 186.9
[M+K]+ 348.12213 176.3
[M+H-H2O]+ 292.15623 161.1
[M+HCOO]- 354.15717 187.4
[M+CH3COO]- 368.17282 183.5
[M+Na-2H]- 330.13364 176.5
[M]+ 309.15842 165.9
[M]- 309.15952 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.