CID 49760364

1119449-40-9

Structural Information

Molecular Formula
C19H18N2O3
SMILES
C1CN(CC(=O)N1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C19H18N2O3/c22-18-11-21(10-9-20-18)19(23)24-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,17H,9-12H2,(H,20,22)
InChIKey
YQKHEDWUIMBPKY-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl 3-oxopiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

322.13174 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.13902 175.4
[M+Na]+ 345.12096 181.5
[M-H]- 321.12446 179.2
[M+NH4]+ 340.16556 189.4
[M+K]+ 361.09490 175.8
[M+H-H2O]+ 305.12900 166.1
[M+HCOO]- 367.12994 189.6
[M+CH3COO]- 381.14559 184.6
[M+Na-2H]- 343.10641 177.2
[M]+ 322.13119 172.4
[M]- 322.13229 172.4
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