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]+ 407.207776 201.5
[M+Na]+ 429.189718 209.1
[M-H]- 405.193224 207.2
[M+NH4]+ 424.234323 207.6
[M+K]+ 445.163658 202.2
[M+H-H2O]+ 389.197760 188.6
[M+HCOO]- 451.198701 221.6
[M+CH3COO]- 465.214351 228.4
[M+Na-2H]- 427.175166 204.1
[M]+ 406.19995142 206.2
[M]- 406.20104858 206.2
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.