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 227.7
[M+Na]+ 535.23162 226.1
[M-H]- 511.23512 239.7
[M+NH4]+ 530.27622 230.1
[M+K]+ 551.20556 204.2
[M+H-H2O]+ 495.23966 227.4
[M+HCOO]- 557.24060 247.1
[M+CH3COO]- 571.25625 231.3
[M+Na-2H]- 533.21707 239.4
[M]+ 512.24185 222.4
[M]- 512.24295 222.4
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.