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 194.5
[M+Na]+ 398.19512 202.4
[M-H]- 374.19862 203.3
[M+NH4]+ 393.23972 203.0
[M+K]+ 414.16906 197.2
[M+H-H2O]+ 358.20316 181.8
[M+HCOO]- 420.20410 216.7
[M+CH3COO]- 434.21975 232.7
[M+Na-2H]- 396.18057 196.9
[M]+ 375.20535 198.1
[M]- 375.20645 198.1
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

patents stripe