CID 6477562

Nsc690749

Structural Information

Molecular Formula
C25H30N2O
SMILES
CC\1CC/C(=C/C2=CC=C(C=C2)N(C)C)/C(=O)/C1=C\C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C25H30N2O/c1-18-6-11-21(16-19-7-12-22(13-8-19)26(2)3)25(28)24(18)17-20-9-14-23(15-10-20)27(4)5/h7-10,12-18H,6,11H2,1-5H3/b21-16-,24-17-
InChIKey
YMXPRDWDPVCOMZ-XFYMNWLTSA-N
Compound name
(2Z,6Z)-2,6-bis[[4-(dimethylamino)phenyl]methylidene]-3-methylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.2358 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.24308 194.6
[M+Na]+ 397.22502 198.6
[M-H]- 373.22852 205.9
[M+NH4]+ 392.26962 207.2
[M+K]+ 413.19896 193.9
[M+H-H2O]+ 357.23306 184.2
[M+HCOO]- 419.23400 215.9
[M+CH3COO]- 433.24965 232.7
[M+Na-2H]- 395.21047 191.9
[M]+ 374.23525 192.6
[M]- 374.23635 192.6
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.