CID 3051443

Ro 1-5574

Structural Information

Molecular Formula
C15H17N4O2
SMILES
C[N+]1=C(C=CC(=C1)OC(=O)N(C)C)N=NC2=CC=CC=C2
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
(1-methyl-6-phenyldiazenylpyridin-1-ium-3-yl) N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.13516 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14244 166.3
[M+Na]+ 308.12438 172.7
[M-H]- 284.12788 176.2
[M+NH4]+ 303.16898 181.3
[M+K]+ 324.09832 166.4
[M+H-H2O]+ 268.13242 158.8
[M+HCOO]- 330.13336 195.0
[M+CH3COO]- 344.14901 207.4
[M+Na-2H]- 306.10983 175.0
[M]+ 285.13461 169.0
[M]- 285.13571 169.0
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.