CID 6909440

Akos003541393

Structural Information

Molecular Formula
C13H13N3O2
SMILES
COC1=C(C2=CC=CC=C2C=C1)/C=N/NC(=O)N
InChI
InChI=1S/C13H13N3O2/c1-18-12-7-6-9-4-2-3-5-10(9)11(12)8-15-16-13(14)17/h2-8H,1H3,(H3,14,16,17)/b15-8+
InChIKey
KVLZGWMPRSAAGT-OVCLIPMQSA-N
Compound name
[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10077 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10805 151.6
[M+Na]+ 266.08999 158.7
[M-H]- 242.09349 157.2
[M+NH4]+ 261.13459 169.7
[M+K]+ 282.06393 156.1
[M+H-H2O]+ 226.09803 144.1
[M+HCOO]- 288.09897 178.5
[M+CH3COO]- 302.11462 202.1
[M+Na-2H]- 264.07544 159.0
[M]+ 243.10022 151.9
[M]- 243.10132 151.9
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.