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]+ 403.16524 198.3
[M+Na]+ 425.14718 202.4
[M-H]- 401.15068 208.9
[M+NH4]+ 420.19178 207.8
[M+K]+ 441.12112 194.4
[M+H-H2O]+ 385.15522 192.2
[M+HCOO]- 447.15616 221.8
[M+CH3COO]- 461.17181 221.6
[M+Na-2H]- 423.13263 203.4
[M]+ 402.15741 198.9
[M]- 402.15851 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.