CID 9571438

Nsc661437

Structural Information

Molecular Formula
C12H15N3O
SMILES
C1CC/C(=N\NC(=O)N)/C2=CC=CC=C2C1
InChI
InChI=1S/C12H15N3O/c13-12(16)15-14-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7H,2,4,6,8H2,(H3,13,15,16)/b14-11+
InChIKey
ZGVPGUWXAWGLFP-SDNWHVSQSA-N
Compound name
[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1215 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.128776 145.5
[M+Na]+ 240.110718 148.9
[M-H]- 216.114224 151.5
[M+NH4]+ 235.155323 163.2
[M+K]+ 256.084658 151.4
[M+H-H2O]+ 200.118760 139.2
[M+HCOO]- 262.119701 168.8
[M+CH3COO]- 276.135351 197.2
[M+Na-2H]- 238.096166 151.6
[M]+ 217.12095142 138.0
[M]- 217.12204858 138.0
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.