CID 24847159

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

Structural Information

Molecular Formula
C23H30N6O
SMILES
CN(C)CCN1C(=O)N=C(C(=N1)C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C23H30N6O/c1-26(2)15-16-29-23(30)24-21(17-7-11-19(12-8-17)27(3)4)22(25-29)18-9-13-20(14-10-18)28(5)6/h7-14H,15-16H2,1-6H3
InChIKey
IGAGNZRAJMITFQ-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-5,6-bis[4-(dimethylamino)phenyl]-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.2481 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.25538 203.5
[M+Na]+ 429.23732 209.9
[M-H]- 405.24082 213.6
[M+NH4]+ 424.28192 211.1
[M+K]+ 445.21126 206.5
[M+H-H2O]+ 389.24536 190.1
[M+HCOO]- 451.24630 226.7
[M+CH3COO]- 465.26195 244.6
[M+Na-2H]- 427.22277 205.5
[M]+ 406.24755 208.8
[M]- 406.24865 208.8
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.