CID 3066735

111049-32-2

Structural Information

Molecular Formula
C17H25ClN4O2S
SMILES
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)NC2=NCCS2)Cl
InChI
InChI=1S/C17H25ClN4O2S/c1-4-22(5-2)8-6-19-16(23)12-10-13(18)14(11-15(12)24-3)21-17-20-7-9-25-17/h10-11H,4-9H2,1-3H3,(H,19,23)(H,20,21)
InChIKey
TZQRUFXWILDIJU-UHFFFAOYSA-N
Compound name
5-chloro-N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

384.13867 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.14595 191.4
[M+Na]+ 407.12789 196.4
[M-H]- 383.13139 197.8
[M+NH4]+ 402.17249 204.9
[M+K]+ 423.10183 191.9
[M+H-H2O]+ 367.13593 183.1
[M+HCOO]- 429.13687 206.1
[M+CH3COO]- 443.15252 225.6
[M+Na-2H]- 405.11334 189.3
[M]+ 384.13812 197.4
[M]- 384.13922 197.4
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