CID 9588707

Brn 5462152

Structural Information

Molecular Formula
C17H19N7O3
SMILES
COC1=CC=CC=C1/C=N/NC2=NC(=NC(=N2)OCC#N)N3CCOCC3
InChI
InChI=1S/C17H19N7O3/c1-25-14-5-3-2-4-13(14)12-19-23-15-20-16(24-7-10-26-11-8-24)22-17(21-15)27-9-6-18/h2-5,12H,7-11H2,1H3,(H,20,21,22,23)/b19-12+
InChIKey
JVNAZSIRSKATLH-XDHOZWIPSA-N
Compound name
2-[[4-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.15494 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16222 193.1
[M+Na]+ 392.14416 204.5
[M+NH4]+ 387.18876 194.2
[M+K]+ 408.11810 195.0
[M-H]- 368.14766 190.4
[M+Na-2H]- 390.12961 196.8
[M]+ 369.15439 192.8
[M]- 369.15549 192.8
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.