CID 3074959

169128-45-4

Structural Information

Molecular Formula
C16H19N3O2
SMILES
CN(C)C(=O)OC1=C(N=CC=C1)CN(C)C2=CC=CC=C2
InChI
InChI=1S/C16H19N3O2/c1-18(2)16(20)21-15-10-7-11-17-14(15)12-19(3)13-8-5-4-6-9-13/h4-11H,12H2,1-3H3
InChIKey
NFBHDXUDIJMSCP-UHFFFAOYSA-N
Compound name
[2-[(N-methylanilino)methyl]pyridin-3-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.14774 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.15502 167.3
[M+Na]+ 308.13696 172.4
[M-H]- 284.14046 175.1
[M+NH4]+ 303.18156 181.9
[M+K]+ 324.11090 171.7
[M+H-H2O]+ 268.14500 157.4
[M+HCOO]- 330.14594 192.4
[M+CH3COO]- 344.16159 211.2
[M+Na-2H]- 306.12241 171.8
[M]+ 285.14719 170.4
[M]- 285.14829 170.4
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.