CID 170701

42906-19-4

Structural Information

Molecular Formula
C21H19NO
SMILES
CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C=O
InChI
InChI=1S/C21H19NO/c1-16-3-9-19(10-4-16)22(20-11-5-17(2)6-12-20)21-13-7-18(15-23)8-14-21/h3-15H,1-2H3
InChIKey
XCGLXUJEPIVZJM-UHFFFAOYSA-N
Compound name
4-(4-methyl-N-(4-methylphenyl)anilino)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

221
Patents

301.14667 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.15395 173.3
[M+Na]+ 324.13589 190.5
[M+NH4]+ 319.18049 182.9
[M+K]+ 340.10983 180.4
[M-H]- 300.13939 182.1
[M+Na-2H]- 322.12134 186.1
[M]+ 301.14612 178.6
[M]- 301.14722 178.6
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