CID 166403

73019-04-2

Structural Information

Molecular Formula
C25H26N5
SMILES
CC1(C2=CC=CC=C2[N+](=C1C=NN(C)C3=CC=C(C=C3)N=NC4=CC=CC=C4)C)C
InChI
InChI=1S/C25H26N5/c1-25(2)22-12-8-9-13-23(22)29(3)24(25)18-26-30(4)21-16-14-20(15-17-21)28-27-19-10-6-5-7-11-19/h5-18H,1-4H3/q+1
InChIKey
IHWMSGFUGWXTNO-UHFFFAOYSA-N
Compound name
N-methyl-4-phenyldiazenyl-N-[(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

396.2188 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.22608 199.4
[M+Na]+ 419.20802 206.3
[M-H]- 395.21152 214.1
[M+NH4]+ 414.25262 214.7
[M+K]+ 435.18196 196.2
[M+H-H2O]+ 379.21606 189.6
[M+HCOO]- 441.21700 229.1
[M+CH3COO]- 455.23265 235.3
[M+Na-2H]- 417.19347 207.2
[M]+ 396.21825 202.5
[M]- 396.21935 202.5
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.