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 179.5
[M+Na]+ 392.14416 185.5
[M-H]- 368.14766 181.5
[M+NH4]+ 387.18876 182.5
[M+K]+ 408.11810 181.6
[M+H-H2O]+ 352.15220 159.1
[M+HCOO]- 414.15314 193.4
[M+CH3COO]- 428.16879 229.1
[M+Na-2H]- 390.12961 184.6
[M]+ 369.15439 173.9
[M]- 369.15549 173.9
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.