CID 348952

Nsc408477

Structural Information

Molecular Formula
C20H19ClN2O4
SMILES
CCOC(=O)NC1=C2C=CC(=CC2=C(C3=CC=CC=C31)NC(=O)OCC)Cl
InChI
InChI=1S/C20H19ClN2O4/c1-3-26-19(24)22-17-13-7-5-6-8-14(13)18(23-20(25)27-4-2)16-11-12(21)9-10-15(16)17/h5-11H,3-4H2,1-2H3,(H,22,24)(H,23,25)
InChIKey
QSGVFBGIAGOGFT-UHFFFAOYSA-N
Compound name
ethyl N-[2-chloro-10-(ethoxycarbonylamino)anthracen-9-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.10333 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.11061 187.6
[M+Na]+ 409.09255 196.3
[M-H]- 385.09605 193.3
[M+NH4]+ 404.13715 202.0
[M+K]+ 425.06649 191.5
[M+H-H2O]+ 369.10059 180.3
[M+HCOO]- 431.10153 206.1
[M+CH3COO]- 445.11718 223.6
[M+Na-2H]- 407.07800 192.8
[M]+ 386.10278 195.7
[M]- 386.10388 195.7
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

No patent data available for this compound.