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 201.5
[M+Na]+ 429.18972 209.1
[M-H]- 405.19322 207.2
[M+NH4]+ 424.23432 207.6
[M+K]+ 445.16366 202.2
[M+H-H2O]+ 389.19776 188.6
[M+HCOO]- 451.19870 221.6
[M+CH3COO]- 465.21435 228.4
[M+Na-2H]- 427.17517 204.1
[M]+ 406.19995 206.2
[M]- 406.20105 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.