CID 5288527

328061-37-6

Structural Information

Molecular Formula
C17H14N6O2S
SMILES
C1=CC2=NC=C(N2C=C1)C3=NC(=NC=C3)NC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C17H14N6O2S/c18-26(24,25)13-6-4-12(5-7-13)21-17-19-9-8-14(22-17)15-11-20-16-3-1-2-10-23(15)16/h1-11H,(H2,18,24,25)(H,19,21,22)
InChIKey
NKORVPQBJCGYEC-UHFFFAOYSA-N
Compound name
4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

32
Patents

366.0899 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.09718 182.4
[M+Na]+ 389.07912 193.6
[M-H]- 365.08262 189.1
[M+NH4]+ 384.12372 191.8
[M+K]+ 405.05306 186.0
[M+H-H2O]+ 349.08716 172.7
[M+HCOO]- 411.08810 199.4
[M+CH3COO]- 425.10375 192.6
[M+Na-2H]- 387.06457 189.6
[M]+ 366.08935 185.0
[M]- 366.09045 185.0
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