CID 22957467

Einecs 284-487-7

Structural Information

Molecular Formula
C14H17N4O
SMILES
CN1C(=CC=[N+](C1=O)C)/C=N/N(C)C2=CC=CC=C2
InChI
InChI=1S/C14H17N4O/c1-16-10-9-13(17(2)14(16)19)11-15-18(3)12-7-5-4-6-8-12/h4-11H,1-3H3/q+1
InChIKey
AMUUMADGDJOZJL-UHFFFAOYSA-N
Compound name
1,3-dimethyl-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]pyrimidin-1-ium-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

257.14023 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14751 159.3
[M+Na]+ 280.12945 167.9
[M-H]- 256.13295 166.9
[M+NH4]+ 275.17405 174.2
[M+K]+ 296.10339 159.6
[M+H-H2O]+ 240.13749 152.1
[M+HCOO]- 302.13843 185.3
[M+CH3COO]- 316.15408 199.3
[M+Na-2H]- 278.11490 168.3
[M]+ 257.13968 160.8
[M]- 257.14078 160.8
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