CID 49116

67049-86-9

Structural Information

Molecular Formula
C16H19N5O2
SMILES
CN(C)C1=CC(=C(C=C1)N=NC2=CN=CC=C2)OC(=O)N(C)C
InChI
InChI=1S/C16H19N5O2/c1-20(2)13-7-8-14(15(10-13)23-16(22)21(3)4)19-18-12-6-5-9-17-11-12/h5-11H,1-4H3
InChIKey
JEYRNHWQCCBUEE-UHFFFAOYSA-N
Compound name
[5-(dimethylamino)-2-(pyridin-3-yldiazenyl)phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.15387 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.16115 173.5
[M+Na]+ 336.14309 184.6
[M+NH4]+ 331.18769 180.1
[M+K]+ 352.11703 178.8
[M-H]- 312.14659 179.6
[M+Na-2H]- 334.12854 182.6
[M]+ 313.15332 176.5
[M]- 313.15442 176.5
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.