CID 5466725

Nsc641836

Structural Information

Molecular Formula
C25H29N4O
SMILES
CN(C)CC(C1=CC=CC=C1)/C(=N/NC(=O)C[N+]2=CC=CC=C2)/CC3=CC=CC=C3
InChI
InChI=1S/C25H28N4O/c1-28(2)19-23(22-14-8-4-9-15-22)24(18-21-12-6-3-7-13-21)26-27-25(30)20-29-16-10-5-11-17-29/h3-17,23H,18-20H2,1-2H3/p+1/b26-24+
InChIKey
KIGODNSVDXNWDX-SHHOIMCASA-O
Compound name
N-[(E)-[4-(dimethylamino)-1,3-diphenylbutan-2-ylidene]amino]-2-pyridin-1-ium-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.23413 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.24141 202.6
[M+Na]+ 424.22335 202.6
[M-H]- 400.22685 211.8
[M+NH4]+ 419.26795 210.4
[M+K]+ 440.19729 193.1
[M+H-H2O]+ 384.23139 192.7
[M+HCOO]- 446.23233 225.1
[M+CH3COO]- 460.24798 228.3
[M+Na-2H]- 422.20880 207.3
[M]+ 401.23358 200.8
[M]- 401.23468 200.8
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.