CID 414267

Nsc 56871

Structural Information

Molecular Formula
C12H12N4O
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)N=C(N)N
InChI
InChI=1S/C12H12N4O/c13-11(14)16-12(17)15-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H5,13,14,15,16,17)
InChIKey
HVIUPMKIDKNVFO-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-3-naphthalen-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.1011 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10838 150.2
[M+Na]+ 251.09032 159.6
[M+NH4]+ 246.13492 157.8
[M+K]+ 267.06426 154.2
[M-H]- 227.09382 154.4
[M+Na-2H]- 249.07577 156.4
[M]+ 228.10055 152.2
[M]- 228.10165 152.2
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.