CID 130919

Auranthine

Structural Information

Molecular Formula
C19H14N4O2
SMILES
C1CC2=NC3=CC=CC=C3C(=O)N2C4=NC5=CC=CC=C5C(=O)NC41
InChI
InChI=1S/C19H14N4O2/c24-18-11-5-1-3-7-13(11)21-17-15(22-18)9-10-16-20-14-8-4-2-6-12(14)19(25)23(16)17/h1-8,15H,9-10H2,(H,22,24)
InChIKey
QSYOIPMDADNFRO-UHFFFAOYSA-N
Compound name
2,10,15,23-tetrazapentacyclo[12.9.0.02,11.04,9.017,22]tricosa-1(23),4,6,8,10,17,19,21-octaene-3,16-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

43
Patents

330.11166 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11894 179.0
[M+Na]+ 353.10088 189.8
[M-H]- 329.10438 181.5
[M+NH4]+ 348.14548 190.3
[M+K]+ 369.07482 185.1
[M+H-H2O]+ 313.10892 168.5
[M+HCOO]- 375.10986 190.1
[M+CH3COO]- 389.12551 187.8
[M+Na-2H]- 351.08633 187.1
[M]+ 330.11111 175.3
[M]- 330.11221 175.3
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.