CID 509859

Schembl7482111

Structural Information

Molecular Formula
C18H19N5O2S
SMILES
COC1=CC=CC=C1C(=O)NC2=NN=C(S2)NCCNC3=CC=CC=C3
InChI
InChI=1S/C18H19N5O2S/c1-25-15-10-6-5-9-14(15)16(24)21-18-23-22-17(26-18)20-12-11-19-13-7-3-2-4-8-13/h2-10,19H,11-12H2,1H3,(H,20,22)(H,21,23,24)
InChIKey
XFIRYXDIKPZMMI-UHFFFAOYSA-N
Compound name
N-[5-(2-anilinoethylamino)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

369.12595 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13323 181.5
[M+Na]+ 392.11517 187.0
[M-H]- 368.11867 188.9
[M+NH4]+ 387.15977 192.0
[M+K]+ 408.08911 181.5
[M+H-H2O]+ 352.12321 171.2
[M+HCOO]- 414.12415 201.8
[M+CH3COO]- 428.13980 219.5
[M+Na-2H]- 390.10062 184.9
[M]+ 369.12540 183.7
[M]- 369.12650 183.7
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