CID 165892889

2580216-64-2

Structural Information

Molecular Formula
C23H17N3O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC5=C(C=C4)C(=NN5)C(=O)O
InChI
InChI=1S/C23H17N3O4/c27-22(28)21-18-10-9-13(11-20(18)25-26-21)24-23(29)30-12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-11,19H,12H2,(H,24,29)(H,25,26)(H,27,28)
InChIKey
HVIRFPNMJRBWHI-UHFFFAOYSA-N
Compound name
6-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.12192 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.12920 190.0
[M+Na]+ 422.11114 197.9
[M-H]- 398.11464 195.7
[M+NH4]+ 417.15574 202.8
[M+K]+ 438.08508 191.8
[M+H-H2O]+ 382.11918 181.8
[M+HCOO]- 444.12012 207.7
[M+CH3COO]- 458.13577 199.3
[M+Na-2H]- 420.09659 192.6
[M]+ 399.12137 192.8
[M]- 399.12247 192.8
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.