CID 54904

Phenylacridinium thiocyanate

Structural Information

Molecular Formula
C27H23N2
SMILES
CN(C)C1=CC=C(C=C1)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C5=CC=CC=C5
InChI
InChI=1S/C27H23N2/c1-28(2)21-18-16-20(17-19-21)27-23-12-6-8-14-25(23)29(22-10-4-3-5-11-22)26-15-9-7-13-24(26)27/h3-19H,1-2H3/q+1
InChIKey
HVYCKQDPTBNJBA-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-(10-phenylacridin-10-ium-9-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.18613 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.19341 198.8
[M+Na]+ 398.17535 206.4
[M-H]- 374.17885 209.9
[M+NH4]+ 393.21995 210.4
[M+K]+ 414.14929 193.3
[M+H-H2O]+ 358.18339 188.6
[M+HCOO]- 420.18433 219.4
[M+CH3COO]- 434.19998 208.2
[M+Na-2H]- 396.16080 207.2
[M]+ 375.18558 199.0
[M]- 375.18668 199.0
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

No patent data available for this compound.