CID 24847160

102429-82-3

Structural Information

Molecular Formula
C24H32N6O
SMILES
CC(CN(C)C)N1C(=O)N=C(C(=N1)C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C24H32N6O/c1-17(16-27(2)3)30-24(31)25-22(18-8-12-20(13-9-18)28(4)5)23(26-30)19-10-14-21(15-11-19)29(6)7/h8-15,17H,16H2,1-7H3
InChIKey
KOHFCQKMIPPYBB-UHFFFAOYSA-N
Compound name
5,6-bis[4-(dimethylamino)phenyl]-2-[1-(dimethylamino)propan-2-yl]-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.26376 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.27104 207.2
[M+Na]+ 443.25298 212.8
[M-H]- 419.25648 217.2
[M+NH4]+ 438.29758 214.1
[M+K]+ 459.22692 209.9
[M+H-H2O]+ 403.26102 193.9
[M+HCOO]- 465.26196 229.0
[M+CH3COO]- 479.27761 248.4
[M+Na-2H]- 441.23843 207.6
[M]+ 420.26321 212.2
[M]- 420.26431 212.2
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.