CID 118863

35714-87-5

Structural Information

Molecular Formula
C25H29ClN5O2
SMILES
CCN(CC[N+](C)(C)CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C25H29ClN5O2/c1-4-29(16-17-31(2,3)19-20-8-6-5-7-9-20)22-12-10-21(11-13-22)27-28-25-15-14-23(30(32)33)18-24(25)26/h5-15,18H,4,16-17,19H2,1-3H3/q+1
InChIKey
GQVUZDNQJKNCDB-UHFFFAOYSA-N
Compound name
benzyl-[2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.201 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.20828 217.6
[M+Na]+ 489.19022 219.3
[M-H]- 465.19372 230.3
[M+NH4]+ 484.23482 225.8
[M+K]+ 505.16416 205.8
[M+H-H2O]+ 449.19826 212.7
[M+HCOO]- 511.19920 241.4
[M+CH3COO]- 525.21485 241.0
[M+Na-2H]- 487.17567 225.6
[M]+ 466.20045 220.5
[M]- 466.20155 220.5
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.