CID 4108140

N,n'-(1,5-naphthalenediyl)bis(ethyl carbamate)

Structural Information

Molecular Formula
C16H18N2O4
SMILES
CCOC(=O)NC1=CC=CC2=C1C=CC=C2NC(=O)OCC
InChI
InChI=1S/C16H18N2O4/c1-3-21-15(19)17-13-9-5-8-12-11(13)7-6-10-14(12)18-16(20)22-4-2/h5-10H,3-4H2,1-2H3,(H,17,19)(H,18,20)
InChIKey
UBDCNFBBUHMLQO-UHFFFAOYSA-N
Compound name
ethyl N-[5-(ethoxycarbonylamino)naphthalen-1-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

302.12665 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.133926 168.5
[M+Na]+ 325.115868 174.2
[M-H]- 301.119374 172.8
[M+NH4]+ 320.160473 184.0
[M+K]+ 341.089808 172.3
[M+H-H2O]+ 285.123910 160.7
[M+HCOO]- 347.124851 191.9
[M+CH3COO]- 361.140501 208.0
[M+Na-2H]- 323.101316 173.4
[M]+ 302.12610142 171.7
[M]- 302.12719858 171.7
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