CID 205226

Semicarbazide, 1-acetyl-4-(1-naphthyl)-

Structural Information

Molecular Formula
C13H13N3O2
SMILES
CC(=O)NNC(=O)NC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C13H13N3O2/c1-9(17)15-16-13(18)14-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H,15,17)(H2,14,16,18)
InChIKey
LZPKAUXWYGSJPF-UHFFFAOYSA-N
Compound name
1-acetamido-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10077 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.108046 152.0
[M+Na]+ 266.089988 157.6
[M-H]- 242.093494 156.5
[M+NH4]+ 261.134593 169.5
[M+K]+ 282.063928 155.0
[M+H-H2O]+ 226.098030 144.7
[M+HCOO]- 288.098971 177.1
[M+CH3COO]- 302.114621 198.6
[M+Na-2H]- 264.075436 159.5
[M]+ 243.10022142 150.3
[M]- 243.10131858 150.3
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.