CID 3051443

Ro 1-5574

Structural Information

Molecular Formula
C15H17N4O2
SMILES
CN1C=C(C=CC1=[N+]=NC2=CC=CC=C2)OC(=O)N(C)C
InChI
InChI=1S/C15H17N4O2/c1-18(2)15(20)21-13-9-10-14(19(3)11-13)17-16-12-7-5-4-6-8-12/h4-11H,1-3H3/q+1
InChIKey
RECIBUKKUGRLPU-UHFFFAOYSA-N
Compound name
[5-(dimethylcarbamoyloxy)-1-methylpyridin-2-ylidene]-phenyliminoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.13516 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14244 165.9
[M+Na]+ 308.12438 172.7
[M-H]- 284.12788 175.9
[M+NH4]+ 303.16898 180.9
[M+K]+ 324.09832 165.8
[M+H-H2O]+ 268.13242 158.5
[M+HCOO]- 330.13336 194.7
[M+CH3COO]- 344.14901 205.9
[M+Na-2H]- 306.10983 174.6
[M]+ 285.13461 167.8
[M]- 285.13571 167.8
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

No patent data available for this compound.