CID 3069208

St 876

Structural Information

Molecular Formula
C23H26N4O3
SMILES
COC1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)OC)CCCNCC=C
InChI
InChI=1S/C23H26N4O3/c1-4-14-24-15-5-16-27-23(28)25-21(17-6-10-19(29-2)11-7-17)22(26-27)18-8-12-20(30-3)13-9-18/h4,6-13,24H,1,5,14-16H2,2-3H3
InChIKey
NCHHPCCOIDCMKP-UHFFFAOYSA-N
Compound name
5,6-bis(4-methoxyphenyl)-2-[3-(prop-2-enylamino)propyl]-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.2005 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.20778 201.6
[M+Na]+ 429.18972 217.0
[M+NH4]+ 424.23432 206.4
[M+K]+ 445.16366 208.2
[M-H]- 405.19322 206.2
[M+Na-2H]- 427.17517 210.4
[M]+ 406.19995 205.0
[M]- 406.20105 205.0
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.