CID 3088521

Dimethylcarbamic acid 3-(3-(dimethylamino)propoxy)-4-(1,1-dimethylethyl)phenyl ester hcl

Structural Information

Molecular Formula
C18H30N2O3
SMILES
CC(C)(C)C1=C(C=C(C=C1)OC(=O)N(C)C)OCCCN(C)C
InChI
InChI=1S/C18H30N2O3/c1-18(2,3)15-10-9-14(23-17(21)20(6)7)13-16(15)22-12-8-11-19(4)5/h9-10,13H,8,11-12H2,1-7H3
InChIKey
KJDDNJVJDVUCKX-UHFFFAOYSA-N
Compound name
[4-tert-butyl-3-[3-(dimethylamino)propoxy]phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.22565 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.23293 180.0
[M+Na]+ 345.21487 188.7
[M+NH4]+ 340.25947 185.8
[M+K]+ 361.18881 184.3
[M-H]- 321.21837 181.6
[M+Na-2H]- 343.20032 183.9
[M]+ 322.22510 181.5
[M]- 322.22620 181.5
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.