CID 4614408

331460-54-9

Structural Information

Molecular Formula
C24H22N2O4
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N=CC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C24H22N2O4/c1-24(2,3)19-8-6-18(7-9-19)23(27)30-22-14-10-20(11-15-22)25-16-17-4-12-21(13-5-17)26(28)29/h4-16H,1-3H3
InChIKey
DGRILWDREQAPIV-UHFFFAOYSA-N
Compound name
[4-[(4-nitrophenyl)methylideneamino]phenyl] 4-tert-butylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.15796 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.165236 198.3
[M+Na]+ 425.147178 202.4
[M-H]- 401.150684 208.9
[M+NH4]+ 420.191783 207.8
[M+K]+ 441.121118 194.4
[M+H-H2O]+ 385.155220 192.2
[M+HCOO]- 447.156161 221.8
[M+CH3COO]- 461.171811 221.6
[M+Na-2H]- 423.132626 203.4
[M]+ 402.15741142 198.9
[M]- 402.15850858 198.9
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.