CID 162360412

Inx-315

Structural Information

Molecular Formula
C19H21N7O3S
SMILES
C1CCC2(CC1)C(=O)NNC3=CC4=CN=C(N=C4N23)NC5=CC=C(C=C5)S(=O)(=O)N
InChI
InChI=1S/C19H21N7O3S/c20-30(28,29)14-6-4-13(5-7-14)22-18-21-11-12-10-15-24-25-17(27)19(8-2-1-3-9-19)26(15)16(12)23-18/h4-7,10-11,24H,1-3,8-9H2,(H,25,27)(H2,20,28,29)(H,21,22,23)
InChIKey
KGJVKYSVVOQPDL-UHFFFAOYSA-N
Compound name
4-[(12-oxospiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

427.14267 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.14995 190.6
[M+Na]+ 450.13189 201.0
[M+NH4]+ 445.17649 196.5
[M+K]+ 466.10583 194.9
[M-H]- 426.13539 192.3
[M+Na-2H]- 448.11734 196.6
[M]+ 427.14212 192.7
[M]- 427.14322 192.7
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