CID 3066736

111049-33-3

Structural Information

Molecular Formula
C17H25ClN4O3
SMILES
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)NC2=NCCO2)Cl
InChI
InChI=1S/C17H25ClN4O3/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
MXHMMLVCKSZTIL-UHFFFAOYSA-N
Compound name
5-chloro-N-[2-(diethylamino)ethyl]-4-(4,5-dihydro-1,3-oxazol-2-ylamino)-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

368.16153 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16881 191.2
[M+Na]+ 391.15075 196.1
[M-H]- 367.15425 198.2
[M+NH4]+ 386.19535 203.3
[M+K]+ 407.12469 193.8
[M+H-H2O]+ 351.15879 182.2
[M+HCOO]- 413.15973 210.3
[M+CH3COO]- 427.17538 224.5
[M+Na-2H]- 389.13620 191.6
[M]+ 368.16098 196.9
[M]- 368.16208 196.9
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