CID 3051987

St 771

Structural Information

Molecular Formula
C24H31N5O
SMILES
CCN(CC)C1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)N(CC)CC)C
InChI
InChI=1S/C24H31N5O/c1-6-28(7-2)20-14-10-18(11-15-20)22-23(26-27(5)24(30)25-22)19-12-16-21(17-13-19)29(8-3)9-4/h10-17H,6-9H2,1-5H3
InChIKey
RIMUBBCWUREKBO-UHFFFAOYSA-N
Compound name
5,6-bis[4-(diethylamino)phenyl]-2-methyl-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.25287 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.26015 202.5
[M+Na]+ 428.24209 217.8
[M+NH4]+ 423.28669 208.6
[M+K]+ 444.21603 209.3
[M-H]- 404.24559 209.2
[M+Na-2H]- 426.22754 212.4
[M]+ 405.25232 206.7
[M]- 405.25342 206.7
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.