CID 9588304

Brn 4573915

Structural Information

Molecular Formula
C23H23ClN4O
SMILES
CC1=CC(=CC=C1)NC2=C(C=CC(=C2)Cl)C(=O)N/N=C/C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C23H23ClN4O/c1-16-5-4-6-19(13-16)26-22-14-18(24)9-12-21(22)23(29)27-25-15-17-7-10-20(11-8-17)28(2)3/h4-15,26H,1-3H3,(H,27,29)/b25-15+
InChIKey
DOFPIYUXHMZGCF-MFKUBSTISA-N
Compound name
4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(3-methylanilino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.15604 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.16332 201.5
[M+Na]+ 429.14526 207.3
[M-H]- 405.14876 213.5
[M+NH4]+ 424.18986 213.0
[M+K]+ 445.11920 201.6
[M+H-H2O]+ 389.15330 191.1
[M+HCOO]- 451.15424 225.0
[M+CH3COO]- 465.16989 238.8
[M+Na-2H]- 427.13071 203.9
[M]+ 406.15549 204.8
[M]- 406.15659 204.8
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.