CID 1068400

N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide

Structural Information

Molecular Formula
C21H15N3O3S
SMILES
CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C21H15N3O3S/c1-13-2-11-19-18(12-13)23-21(28-19)15-3-7-16(8-4-15)22-20(25)14-5-9-17(10-6-14)24(26)27/h2-12H,1H3,(H,22,25)
InChIKey
CLQUMCZPDMYYOZ-UHFFFAOYSA-N
Compound name
N-[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

389.0834 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.09068 185.6
[M+Na]+ 412.07262 201.7
[M+NH4]+ 407.11722 193.9
[M+K]+ 428.04656 195.7
[M-H]- 388.07612 193.9
[M+Na-2H]- 410.05807 195.9
[M]+ 389.08285 190.7
[M]- 389.08395 190.7
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