CID 3051989

As-triazin-3(2h)-one, 2-allyl-5,6-bis(p-(dimethylamino)phenyl)-

Structural Information

Molecular Formula
C22H25N5O
SMILES
CN(C)C1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)N(C)C)CC=C
InChI
InChI=1S/C22H25N5O/c1-6-15-27-22(28)23-20(16-7-11-18(12-8-16)25(2)3)21(24-27)17-9-13-19(14-10-17)26(4)5/h6-14H,1,15H2,2-5H3
InChIKey
TXPPOFYTGJVYBB-UHFFFAOYSA-N
Compound name
5,6-bis[4-(dimethylamino)phenyl]-2-prop-2-enyl-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.2059 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.21318 192.4
[M+Na]+ 398.19512 208.1
[M+NH4]+ 393.23972 198.5
[M+K]+ 414.16906 200.0
[M-H]- 374.19862 198.9
[M+Na-2H]- 396.18057 202.7
[M]+ 375.20535 196.5
[M]- 375.20645 196.5
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.