CID 164877

52080-58-7

Structural Information

Molecular Formula
C24H27N3
SMILES
CN=C1C=CC(=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C=C1
InChI
InChI=1S/C24H27N3/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5/h6-17H,1-5H3
InChIKey
AMPCGOAFZFKBGH-UHFFFAOYSA-N
Compound name
4-[[4-(dimethylamino)phenyl]-(4-methyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2934
References

5570
Patents

357.2205 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.22778 190.7
[M+Na]+ 380.20972 194.5
[M-H]- 356.21322 203.6
[M+NH4]+ 375.25432 203.9
[M+K]+ 396.18366 190.9
[M+H-H2O]+ 340.21776 179.7
[M+HCOO]- 402.21870 216.3
[M+CH3COO]- 416.23435 233.5
[M+Na-2H]- 378.19517 191.7
[M]+ 357.21995 190.4
[M]- 357.22105 190.4
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