CID 6478004

Nsc687853

Structural Information

Molecular Formula
C26H29N3O2
SMILES
CN(C1=CC=C(C=C1)/C=C/2\C(=O)/C(=C\C3=CC=C(C=C3)N(C)C)/CN(C2)C(=O)C=C)C
InChI
InChI=1S/C26H29N3O2/c1-6-25(30)29-17-21(15-19-7-11-23(12-8-19)27(2)3)26(31)22(18-29)16-20-9-13-24(14-10-20)28(4)5/h6-16H,1,17-18H2,2-5H3/b21-15-,22-16-
InChIKey
KIJSWTZBZRWQNK-BMJUYKDLSA-N
Compound name
(3Z,5Z)-3,5-bis[[4-(dimethylamino)phenyl]methylidene]-1-prop-2-enoylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.22598 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.23326 204.0
[M+Na]+ 438.21520 207.8
[M-H]- 414.21870 213.9
[M+NH4]+ 433.25980 213.2
[M+K]+ 454.18914 202.7
[M+H-H2O]+ 398.22324 192.7
[M+HCOO]- 460.22418 223.2
[M+CH3COO]- 474.23983 239.2
[M+Na-2H]- 436.20065 200.2
[M]+ 415.22543 202.3
[M]- 415.22653 202.3
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.