CID 170701

Einecs 255-996-1

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

230
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 172.1
[M+Na]+ 324.13589 179.3
[M-H]- 300.13939 183.2
[M+NH4]+ 319.18049 187.1
[M+K]+ 340.10983 174.5
[M+H-H2O]+ 284.14393 162.5
[M+HCOO]- 346.14487 197.2
[M+CH3COO]- 360.16052 211.8
[M+Na-2H]- 322.12134 176.3
[M]+ 301.14612 173.2
[M]- 301.14722 173.2
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