CID 118331338

Syha1813

Structural Information

Molecular Formula
C25H19FN4O
SMILES
CC1=C(C=CC(=C1)NC(=O)C2=CC=CC3=C2C=CC(=C3)C4=C5C(=CC=C4)NN=C5N)F
InChI
InChI=1S/C25H19FN4O/c1-14-12-17(9-11-21(14)26)28-25(31)20-6-2-4-15-13-16(8-10-18(15)20)19-5-3-7-22-23(19)24(27)30-29-22/h2-13H,1H3,(H,28,31)(H3,27,29,30)
InChIKey
SPYWRQIMSVARCX-UHFFFAOYSA-N
Compound name
6-(3-amino-1H-indazol-4-yl)-N-(4-fluoro-3-methylphenyl)naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

410.1543 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.16158 198.3
[M+Na]+ 433.14352 207.9
[M-H]- 409.14702 205.5
[M+NH4]+ 428.18812 208.4
[M+K]+ 449.11746 198.6
[M+H-H2O]+ 393.15156 186.8
[M+HCOO]- 455.15250 217.0
[M+CH3COO]- 469.16815 207.1
[M+Na-2H]- 431.12897 200.9
[M]+ 410.15375 196.8
[M]- 410.15485 196.8
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

patents stripe