CID 5385571

Nsc 407589

Structural Information

Molecular Formula
C15H19N3O
SMILES
C1CCC2C(C1)C/C(=N\NC(=O)N)/C3=CC=CC=C23
InChI
InChI=1S/C15H19N3O/c16-15(19)18-17-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h3-4,7-8,10-11H,1-2,5-6,9H2,(H3,16,18,19)/b17-14+
InChIKey
JOBXDIOTFVACCN-SAPNQHFASA-N
Compound name
[(E)-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-ylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1528 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.16008 154.3
[M+Na]+ 280.14202 157.8
[M-H]- 256.14552 158.9
[M+NH4]+ 275.18662 172.3
[M+K]+ 296.11596 154.2
[M+H-H2O]+ 240.15006 146.6
[M+HCOO]- 302.15100 174.2
[M+CH3COO]- 316.16665 205.2
[M+Na-2H]- 278.12747 160.1
[M]+ 257.15225 146.9
[M]- 257.15335 146.9
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.