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]+ 286.142436 166.3
[M+Na]+ 308.124378 172.7
[M-H]- 284.127884 176.2
[M+NH4]+ 303.168983 181.3
[M+K]+ 324.098318 166.4
[M+H-H2O]+ 268.132420 158.8
[M+HCOO]- 330.133361 195.0
[M+CH3COO]- 344.149011 207.4
[M+Na-2H]- 306.109826 175.0
[M]+ 285.13461142 169.0
[M]- 285.13570858 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.