CID 4392149

60387-39-5

Structural Information

Molecular Formula
C19H18N2O6
SMILES
CC1=C(C=C(C=C1)NC(=O)OCC2=CC=CO2)NC(=O)OCC3=CC=CO3
InChI
InChI=1S/C19H18N2O6/c1-13-6-7-14(20-18(22)26-11-15-4-2-8-24-15)10-17(13)21-19(23)27-12-16-5-3-9-25-16/h2-10H,11-12H2,1H3,(H,20,22)(H,21,23)
InChIKey
UOHWXAZJICSLOM-UHFFFAOYSA-N
Compound name
furan-2-ylmethyl N-[3-(furan-2-ylmethoxycarbonylamino)-4-methylphenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

370.1165 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.12378 185.4
[M+Na]+ 393.10572 191.2
[M-H]- 369.10922 197.5
[M+NH4]+ 388.15032 197.3
[M+K]+ 409.07966 191.6
[M+H-H2O]+ 353.11376 177.5
[M+HCOO]- 415.11470 212.0
[M+CH3COO]- 429.13035 215.7
[M+Na-2H]- 391.09117 188.0
[M]+ 370.11595 192.7
[M]- 370.11705 192.7
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

patents stripe