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

35
Patents

302.12665 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13393 168.5
[M+Na]+ 325.11587 174.2
[M-H]- 301.11937 172.8
[M+NH4]+ 320.16047 184.0
[M+K]+ 341.08981 172.3
[M+H-H2O]+ 285.12391 160.7
[M+HCOO]- 347.12485 191.9
[M+CH3COO]- 361.14050 208.0
[M+Na-2H]- 323.10132 173.4
[M]+ 302.12610 171.7
[M]- 302.12720 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