CID 9816527

339071-18-0

Structural Information

Molecular Formula
C11H14ClN3O2
SMILES
C1COCCN1C2=C(C=C(C=C2)N=CNO)Cl
InChI
InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)
InChIKey
ZTXADXBIGLLOFX-UHFFFAOYSA-N
Compound name
N'-(3-chloro-4-morpholin-4-ylphenyl)-N-hydroxymethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

20
Patents

255.07745 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.08473 156.5
[M+Na]+ 278.06667 162.5
[M-H]- 254.07017 161.7
[M+NH4]+ 273.11127 170.8
[M+K]+ 294.04061 159.3
[M+H-H2O]+ 238.07471 148.6
[M+HCOO]- 300.07565 173.3
[M+CH3COO]- 314.09130 195.3
[M+Na-2H]- 276.05212 162.7
[M]+ 255.07690 154.9
[M]- 255.07800 154.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe