CID 9571325

Nsc642635

Structural Information

Molecular Formula
C21H18N4O2
SMILES
C1=CC=C2C=C(C=CC2=C1)/C(=N\N=C(N)N)/CC3C4=CC=CC=C4C(=O)O3
InChI
InChI=1S/C21H18N4O2/c22-21(23)25-24-18(15-10-9-13-5-1-2-6-14(13)11-15)12-19-16-7-3-4-8-17(16)20(26)27-19/h1-11,19H,12H2,(H4,22,23,25)/b24-18-
InChIKey
ICLIXDCBELVJFF-MOHJPFBDSA-N
Compound name
2-[(Z)-[1-naphthalen-2-yl-2-(3-oxo-1H-2-benzofuran-1-yl)ethylidene]amino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.14297 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15025 182.7
[M+Na]+ 381.13219 188.2
[M-H]- 357.13569 193.2
[M+NH4]+ 376.17679 196.9
[M+K]+ 397.10613 184.6
[M+H-H2O]+ 341.14023 173.6
[M+HCOO]- 403.14117 207.2
[M+CH3COO]- 417.15682 193.2
[M+Na-2H]- 379.11764 186.9
[M]+ 358.14242 181.4
[M]- 358.14352 181.4
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.