CID 9570994

Benzaldehyde, 2-methoxy-, (4-(3,4,5,6,7,8-hexahydro-6,8-dimethyl-3,5,7-trioxopyrimido(5,4-e)-1,2,4-triazin-4a(2h)-yl)phenyl)hydrazone

Structural Information

Molecular Formula
C21H21N7O4
SMILES
CN1C2=NNC(=O)NC2(C(=O)N(C1=O)C)C3=CC=C(C=C3)N/N=C/C4=CC=CC=C4OC
InChI
InChI=1S/C21H21N7O4/c1-27-17-21(23-19(30)26-25-17,18(29)28(2)20(27)31)14-8-10-15(11-9-14)24-22-12-13-6-4-5-7-16(13)32-3/h4-12,24H,1-3H3,(H2,23,26,30)/b22-12+
InChIKey
QHRFNBXJWABVQV-WSDLNYQXSA-N
Compound name
4a-[4-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]phenyl]-6,8-dimethyl-2,4-dihydropyrimido[5,4-e][1,2,4]triazine-3,5,7-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.1655 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.17278 207.4
[M+Na]+ 458.15472 215.1
[M-H]- 434.15822 210.2
[M+NH4]+ 453.19932 211.2
[M+K]+ 474.12866 207.8
[M+H-H2O]+ 418.16276 194.4
[M+HCOO]- 480.16370 219.4
[M+CH3COO]- 494.17935 213.3
[M+Na-2H]- 456.14017 210.8
[M]+ 435.16495 204.5
[M]- 435.16605 204.5
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.