CID 275803

Nsc122883

Structural Information

Molecular Formula
C18H16N2O3
SMILES
C1=CC=C2C3C(C(C(C2=C1)C4=CC=CC=C34)C(=O)NN)C(=O)O
InChI
InChI=1S/C18H16N2O3/c19-20-17(21)15-13-9-5-1-3-7-11(9)14(16(15)18(22)23)12-8-4-2-6-10(12)13/h1-8,13-16H,19H2,(H,20,21)(H,22,23)
InChIKey
XHBGHZUKMSXPKB-UHFFFAOYSA-N
Compound name
16-(hydrazinecarbonyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1161 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 165.4
[M+Na]+ 331.10532 169.2
[M-H]- 307.10882 165.8
[M+NH4]+ 326.14992 183.0
[M+K]+ 347.07926 165.5
[M+H-H2O]+ 291.11336 158.1
[M+HCOO]- 353.11430 177.2
[M+CH3COO]- 367.12995 174.0
[M+Na-2H]- 329.09077 173.2
[M]+ 308.11555 165.2
[M]- 308.11665 165.2
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.