CID 46125

Tl-1350

Structural Information

Molecular Formula
C14H20N2O4
SMILES
CC1=CC(=C(C=C1OC(=O)NC)C(C)C)OC(=O)NC
InChI
InChI=1S/C14H20N2O4/c1-8(2)10-7-11(19-13(17)15-4)9(3)6-12(10)20-14(18)16-5/h6-8H,1-5H3,(H,15,17)(H,16,18)
InChIKey
XOXMOVDDZFAZSM-UHFFFAOYSA-N
Compound name
[2-methyl-4-(methylcarbamoyloxy)-5-propan-2-ylphenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1423 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.149576 165.4
[M+Na]+ 303.131518 171.4
[M-H]- 279.135024 169.4
[M+NH4]+ 298.176123 181.3
[M+K]+ 319.105458 171.1
[M+H-H2O]+ 263.139560 158.3
[M+HCOO]- 325.140501 188.6
[M+CH3COO]- 339.156151 206.6
[M+Na-2H]- 301.116966 165.7
[M]+ 280.14175142 168.8
[M]- 280.14284858 168.8
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.