CID 367991

Nsc638211

Structural Information

Molecular Formula
C32H36N2O4
SMILES
CCC(C)COC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)C=NC3=CC=C(C=C3)C(=O)OCC(C)CC
InChI
InChI=1S/C32H36N2O4/c1-5-23(3)21-37-31(35)27-11-15-29(16-12-27)33-19-25-7-9-26(10-8-25)20-34-30-17-13-28(14-18-30)32(36)38-22-24(4)6-2/h7-20,23-24H,5-6,21-22H2,1-4H3
InChIKey
AAKJINQWEFWQSR-UHFFFAOYSA-N
Compound name
2-methylbutyl 4-[[4-[[4-(2-methylbutoxycarbonyl)phenyl]iminomethyl]phenyl]methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.2675 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.27478 232.6
[M+Na]+ 535.25672 233.7
[M-H]- 511.26022 243.0
[M+NH4]+ 530.30132 238.4
[M+K]+ 551.23066 229.9
[M+H-H2O]+ 495.26476 220.0
[M+HCOO]- 557.26570 254.3
[M+CH3COO]- 571.28135 255.2
[M+Na-2H]- 533.24217 228.6
[M]+ 512.26695 238.3
[M]- 512.26805 238.3
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.