CID 9588188

72606-54-3

Structural Information

Molecular Formula
C22H22ClN3O
SMILES
CC(CC1=CC=CC=C1)NCC(=O)N/N=C/C2=CC=C(C3=CC=CC=C23)Cl
InChI
InChI=1S/C22H22ClN3O/c1-16(13-17-7-3-2-4-8-17)24-15-22(27)26-25-14-18-11-12-21(23)20-10-6-5-9-19(18)20/h2-12,14,16,24H,13,15H2,1H3,(H,26,27)/b25-14+
InChIKey
ZNEDTWXTFSCMEL-AFUMVMLFSA-N
Compound name
N-[(E)-(4-chloronaphthalen-1-yl)methylideneamino]-2-(1-phenylpropan-2-ylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.14514 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.15242 191.5
[M+Na]+ 402.13436 196.4
[M-H]- 378.13786 199.1
[M+NH4]+ 397.17896 204.5
[M+K]+ 418.10830 189.7
[M+H-H2O]+ 362.14240 182.4
[M+HCOO]- 424.14334 211.4
[M+CH3COO]- 438.15899 227.7
[M+Na-2H]- 400.11981 195.8
[M]+ 379.14459 193.7
[M]- 379.14569 193.7
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

No patent data available for this compound.