CID 47235

T-1833

Structural Information

Molecular Formula
C13H21N3O2
SMILES
CNC(=O)OC1=C(C=CC(=C1)N(C)C)CN(C)C
InChI
InChI=1S/C13H21N3O2/c1-14-13(17)18-12-8-11(16(4)5)7-6-10(12)9-15(2)3/h6-8H,9H2,1-5H3,(H,14,17)
InChIKey
MLWOUTXTYOJIIB-UHFFFAOYSA-N
Compound name
[5-(dimethylamino)-2-[(dimethylamino)methyl]phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.16338 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17066 160.3
[M+Na]+ 274.15260 165.6
[M-H]- 250.15610 166.8
[M+NH4]+ 269.19720 178.2
[M+K]+ 290.12654 166.6
[M+H-H2O]+ 234.16064 152.5
[M+HCOO]- 296.16158 187.2
[M+CH3COO]- 310.17723 210.3
[M+Na-2H]- 272.13805 163.0
[M]+ 251.16283 164.0
[M]- 251.16393 164.0
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.