CID 6478450

(2e)-2-[(3,6-dimethyl-2-phenyl-4h-pyrimidin-4-yl)methylene]-1-ethyl-quinoline

Structural Information

Molecular Formula
C24H26N3
SMILES
CCN1/C(=C/C2C=C(NC(=[N+]2C)C3=CC=CC=C3)C)/C=CC4=CC=CC=C41
InChI
InChI=1S/C24H25N3/c1-4-27-21(15-14-19-10-8-9-13-23(19)27)17-22-16-18(2)25-24(26(22)3)20-11-6-5-7-12-20/h5-17,22H,4H2,1-3H3/p+1/b21-17+
InChIKey
QBAGCMUFUYZPJO-HEHNFIMWSA-O
Compound name
(2E)-2-[(3,6-dimethyl-2-phenyl-1,4-dihydropyrimidin-3-ium-4-yl)methylidene]-1-ethylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.21268 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.21996 196.2
[M+Na]+ 379.20190 203.0
[M-H]- 355.20540 200.9
[M+NH4]+ 374.24650 204.6
[M+K]+ 395.17584 188.1
[M+H-H2O]+ 339.20994 186.4
[M+HCOO]- 401.21088 209.1
[M+CH3COO]- 415.22653 209.5
[M+Na-2H]- 377.18735 200.1
[M]+ 356.21213 191.1
[M]- 356.21323 191.2
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.