CID 3060841

78311-82-7

Structural Information

Molecular Formula
C24H27N9O2S
SMILES
CC1=CC(=NC(=N1)N(CCC2=NNN=N2)S(=O)(=O)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)N(C)C)C
InChI
InChI=1S/C24H27N9O2S/c1-17-15-18(2)27-24(26-17)33(14-13-23-28-30-31-29-23)36(34,35)22-11-7-20(8-12-22)25-16-19-5-9-21(10-6-19)32(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,28,29,30,31)
InChIKey
SYHHGGQXDBKHRZ-UHFFFAOYSA-N
Compound name
4-[[4-(dimethylamino)phenyl]methylideneamino]-N-(4,6-dimethylpyrimidin-2-yl)-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.20084 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.20812 212.0
[M+Na]+ 528.19006 224.5
[M+NH4]+ 523.23466 215.0
[M+K]+ 544.16400 219.5
[M-H]- 504.19356 217.2
[M+Na-2H]- 526.17551 222.5
[M]+ 505.20029 215.4
[M]- 505.20139 215.4
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.