CID 37560

36855-80-8

Structural Information

Molecular Formula
C14H11N3OS
SMILES
C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C14H11N3OS/c15-10-7-5-9(6-8-10)13(18)17-14-16-11-3-1-2-4-12(11)19-14/h1-8H,15H2,(H,16,17,18)
InChIKey
AKZCUWIRBSFXJU-UHFFFAOYSA-N
Compound name
4-amino-N-(1,3-benzothiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

14
Patents

269.0623 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06958 156.7
[M+Na]+ 292.05152 166.5
[M-H]- 268.05502 163.7
[M+NH4]+ 287.09612 174.6
[M+K]+ 308.02546 160.9
[M+H-H2O]+ 252.05956 149.5
[M+HCOO]- 314.06050 177.8
[M+CH3COO]- 328.07615 169.4
[M+Na-2H]- 290.03697 161.4
[M]+ 269.06175 158.5
[M]- 269.06285 158.5
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