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 204.4
[M+Na]+ 428.24209 211.1
[M-H]- 404.24559 212.8
[M+NH4]+ 423.28669 211.8
[M+K]+ 444.21603 206.0
[M+H-H2O]+ 388.25013 191.2
[M+HCOO]- 450.25107 225.7
[M+CH3COO]- 464.26672 239.2
[M+Na-2H]- 426.22754 205.7
[M]+ 405.25232 209.3
[M]- 405.25342 209.3
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