CID 32585

Tetramethylbenzidine bis-chloro-p-nitrobenzylate

Structural Information

Molecular Formula
C30H32N4O4
SMILES
C[N+](C)(CC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](C)(C)CC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C30H32N4O4/c1-33(2,21-23-5-13-27(14-6-23)31(35)36)29-17-9-25(10-18-29)26-11-19-30(20-12-26)34(3,4)22-24-7-15-28(16-8-24)32(37)38/h5-20H,21-22H2,1-4H3/q+2
InChIKey
GKVWPIMTPLVECO-UHFFFAOYSA-N
Compound name
[4-[4-[dimethyl-[(4-nitrophenyl)methyl]azaniumyl]phenyl]phenyl]-dimethyl-[(4-nitrophenyl)methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.2424 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.24968 234.3
[M+Na]+ 535.23162 239.1
[M+NH4]+ 530.27622 241.5
[M+K]+ 551.20556 243.4
[M-H]- 511.23512 231.6
[M+Na-2H]- 533.21707 227.9
[M]+ 512.24185 236.0
[M]- 512.24295 236.0
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.