CID 460611

Ethyl n-(amino[?]yl)carbamate

Structural Information

Molecular Formula
C18H18N4O3
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)OC3CCC4=CC=CC=C4C3=N2)N
InChI
InChI=1S/C18H18N4O3/c1-2-24-18(23)21-14-9-13-16(17(19)20-14)22-15-11-6-4-3-5-10(11)7-8-12(15)25-13/h3-6,9,12H,2,7-8H2,1H3,(H3,19,20,21,23)
InChIKey
XQFBELIEPODMIY-UHFFFAOYSA-N
Compound name
ethyl N-(16-amino-11-oxa-15,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,12,14,16-heptaen-14-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

338.13788 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14516 177.1
[M+Na]+ 361.12710 184.3
[M-H]- 337.13060 180.4
[M+NH4]+ 356.17170 188.7
[M+K]+ 377.10104 180.7
[M+H-H2O]+ 321.13514 166.9
[M+HCOO]- 383.13608 192.4
[M+CH3COO]- 397.15173 186.3
[M+Na-2H]- 359.11255 184.7
[M]+ 338.13733 177.1
[M]- 338.13843 177.1
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.