CID 6475505

3-[(e)-2-(4-dimethylaminophenyl)vinyl]-8-imino-2-methyl-pyrimido[1,2-b][1,2,4]triazin-6-one

Structural Information

Molecular Formula
C17H18N6O
SMILES
CC1=NN2C(=N)CC(=O)N=C2N=C1/C=C/C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C17H18N6O/c1-11-14(9-6-12-4-7-13(8-5-12)22(2)3)19-17-20-16(24)10-15(18)23(17)21-11/h4-9,18H,10H2,1-3H3/b9-6+,18-15?
InChIKey
XDMIQCXHGXZOIF-RPJMUCMYSA-N
Compound name
3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-8-imino-2-methylpyrimido[1,2-b][1,2,4]triazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.1542 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.16148 180.4
[M+Na]+ 345.14342 189.0
[M-H]- 321.14692 184.2
[M+NH4]+ 340.18802 190.4
[M+K]+ 361.11736 183.0
[M+H-H2O]+ 305.15146 169.0
[M+HCOO]- 367.15240 198.4
[M+CH3COO]- 381.16805 218.7
[M+Na-2H]- 343.12887 184.8
[M]+ 322.15365 179.5
[M]- 322.15475 179.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.