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]+ 244.108046 151.6
[M+Na]+ 266.089988 158.7
[M-H]- 242.093494 157.2
[M+NH4]+ 261.134593 169.7
[M+K]+ 282.063928 156.1
[M+H-H2O]+ 226.098030 144.1
[M+HCOO]- 288.098971 178.5
[M+CH3COO]- 302.114621 202.1
[M+Na-2H]- 264.075436 159.0
[M]+ 243.10022142 151.9
[M]- 243.10131858 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.