CID 11256560

Abt-102

Structural Information

Molecular Formula
C21H24N4O
SMILES
CC(C)(C)C1=CC2=C(C=C1)[C@@H](CC2)NC(=O)NC3=CC=CC4=C3C=NN4
InChI
InChI=1S/C21H24N4O/c1-21(2,3)14-8-9-15-13(11-14)7-10-18(15)24-20(26)23-17-5-4-6-19-16(17)12-22-25-19/h4-6,8-9,11-12,18H,7,10H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m1/s1
InChIKey
TYOYXJNGINZFET-GOSISDBHSA-N
Compound name
1-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-3-(1H-indazol-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

26
References

149
Patents

348.195 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.20228 183.5
[M+Na]+ 371.18422 194.2
[M+NH4]+ 366.22882 190.7
[M+K]+ 387.15816 191.6
[M-H]- 347.18772 186.9
[M+Na-2H]- 369.16967 188.9
[M]+ 348.19445 185.8
[M]- 348.19555 185.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe