CID 5465852

Nsc665624

Structural Information

Molecular Formula
C19H18N4O
SMILES
C1C/C(=N\NC(=O)N/N=C\2/CCC3=CC=CC=C32)/C4=CC=CC=C41
InChI
InChI=1S/C19H18N4O/c24-19(22-20-17-11-9-13-5-1-3-7-15(13)17)23-21-18-12-10-14-6-2-4-8-16(14)18/h1-8H,9-12H2,(H2,22,23,24)/b20-17-,21-18+
InChIKey
XJCBKFUZKIYYKV-WPDZNWIASA-N
Compound name
1-[(E)-2,3-dihydroinden-1-ylideneamino]-3-[(Z)-2,3-dihydroinden-1-ylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.14807 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15535 168.2
[M+Na]+ 341.13729 172.9
[M-H]- 317.14079 179.0
[M+NH4]+ 336.18189 187.8
[M+K]+ 357.11123 168.6
[M+H-H2O]+ 301.14533 160.0
[M+HCOO]- 363.14627 196.1
[M+CH3COO]- 377.16192 179.8
[M+Na-2H]- 339.12274 173.4
[M]+ 318.14752 165.7
[M]- 318.14862 165.7
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.