CID 49116

Dimethylcarbamic acid 5-(dimethylamino)-2-(3-pyridylazo)phenyl ester

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]+ 314.161146 174.1
[M+Na]+ 336.143088 179.6
[M-H]- 312.146594 185.0
[M+NH4]+ 331.187693 188.5
[M+K]+ 352.117028 180.1
[M+H-H2O]+ 296.151130 163.1
[M+HCOO]- 358.152071 204.3
[M+CH3COO]- 372.167721 226.1
[M+Na-2H]- 334.128536 179.7
[M]+ 313.15332142 179.1
[M]- 313.15441858 179.1
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.