CID 9949202

302841-89-0

Structural Information

Molecular Formula
C19H19NO4
SMILES
CCCCOC(=O)NC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13
InChI
InChI=1S/C19H19NO4/c1-2-3-12-23-19(22)20-18(21)17-13-8-4-6-10-15(13)24-16-11-7-5-9-14(16)17/h4-11,17H,2-3,12H2,1H3,(H,20,21,22)
InChIKey
RQBUXEUMZZQUFY-UHFFFAOYSA-N
Compound name
butyl N-(9H-xanthene-9-carbonyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

29
Patents

325.1314 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 175.1
[M+Na]+ 348.12062 180.7
[M-H]- 324.12412 180.3
[M+NH4]+ 343.16522 189.3
[M+K]+ 364.09456 178.5
[M+H-H2O]+ 308.12866 166.9
[M+HCOO]- 370.12960 193.6
[M+CH3COO]- 384.14525 210.8
[M+Na-2H]- 346.10607 180.8
[M]+ 325.13085 178.0
[M]- 325.13195 178.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe