CID 9571527

Nsc679489

Structural Information

Molecular Formula
C11H15N3O2
SMILES
CCOC(=O)N/N=C(/CC1=CC=CC=C1)\N
InChI
InChI=1S/C11H15N3O2/c1-2-16-11(15)14-13-10(12)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,12,13)(H,14,15)
InChIKey
HPHKSRUYJZEUIK-UHFFFAOYSA-N
Compound name
ethyl N-[(Z)-(1-amino-2-phenylethylidene)amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.11642 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12370 150.0
[M+Na]+ 244.10564 154.5
[M-H]- 220.10914 154.1
[M+NH4]+ 239.15024 167.5
[M+K]+ 260.07958 153.5
[M+H-H2O]+ 204.11368 142.3
[M+HCOO]- 266.11462 176.7
[M+CH3COO]- 280.13027 196.3
[M+Na-2H]- 242.09109 155.0
[M]+ 221.11587 149.2
[M]- 221.11697 149.2
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.