CID 3062113

(e)-4-((((2-amino-5-chlorophenyl)phenylmethylene)amino)acetyl)morpholine

Structural Information

Molecular Formula
C19H20ClN3O2
SMILES
C1COCCN1C(=O)CN=C(C2=CC=CC=C2)C3=C(C=CC(=C3)Cl)N
InChI
InChI=1S/C19H20ClN3O2/c20-15-6-7-17(21)16(12-15)19(14-4-2-1-3-5-14)22-13-18(24)23-8-10-25-11-9-23/h1-7,12H,8-11,13,21H2
InChIKey
UCAFYFHWXCAHCJ-UHFFFAOYSA-N
Compound name
2-[[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]-1-morpholin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1244 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13168 186.5
[M+Na]+ 380.11362 190.6
[M-H]- 356.11712 195.0
[M+NH4]+ 375.15822 196.2
[M+K]+ 396.08756 186.1
[M+H-H2O]+ 340.12166 176.3
[M+HCOO]- 402.12260 201.0
[M+CH3COO]- 416.13825 217.5
[M+Na-2H]- 378.09907 188.0
[M]+ 357.12385 184.2
[M]- 357.12495 184.2
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

No patent data available for this compound.