CID 215957

36855-77-3

Structural Information

Molecular Formula
C10H8N4O3S
SMILES
CC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H8N4O3S/c1-6-12-13-10(18-6)11-9(15)7-2-4-8(5-3-7)14(16)17/h2-5H,1H3,(H,11,13,15)
InChIKey
UHWVXZUPIKULKG-UHFFFAOYSA-N
Compound name
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

264.0317 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.03898 153.4
[M+Na]+ 287.02092 160.8
[M-H]- 263.02442 158.6
[M+NH4]+ 282.06552 168.2
[M+K]+ 302.99486 153.4
[M+H-H2O]+ 247.02896 149.7
[M+HCOO]- 309.02990 173.5
[M+CH3COO]- 323.04555 188.6
[M+Na-2H]- 285.00637 158.2
[M]+ 264.03115 153.1
[M]- 264.03225 153.1
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