CID 6446961

68772-19-0

Structural Information

Molecular Formula
C31H29N5O
SMILES
C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)NC4=CC=[N+](C5=CC=CC=C45)C
InChI
InChI=1S/C31H27N5O/c1-35-20-17-27(18-21-35)32-24-12-14-26(15-13-24)34-31(37)16-9-23-7-10-25(11-8-23)33-29-19-22-36(2)30-6-4-3-5-28(29)30/h3-22H,1-2H3,(H,34,37)/p+2/b16-9+
InChIKey
PWRONXNFDDEHNC-CXUHLZMHSA-P
Compound name
(E)-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-3-[4-[(1-methylquinolin-1-ium-4-yl)amino]phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

487.2372 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.24448 221.4
[M+Na]+ 510.22642 241.7
[M+NH4]+ 505.27102 230.2
[M+K]+ 526.20036 231.6
[M-H]- 486.22992 235.0
[M+Na-2H]- 508.21187 235.3
[M]+ 487.23665 229.0
[M]- 487.23775 229.0
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

patents stripe