CID 1715674

329777-90-4

Structural Information

Molecular Formula
C23H22BrNO4S
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC=C(C=C2)N=CC3=C(C=CC(=C3)Br)OC)C
InChI
InChI=1S/C23H22BrNO4S/c1-15-11-16(2)23(17(3)12-15)30(26,27)29-21-8-6-20(7-9-21)25-14-18-13-19(24)5-10-22(18)28-4/h5-14H,1-4H3
InChIKey
PEUAEXPZEIWZIS-UHFFFAOYSA-N
Compound name
[4-[(5-bromo-2-methoxyphenyl)methylideneamino]phenyl] 2,4,6-trimethylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

487.0453 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.05258 198.6
[M+Na]+ 510.03452 210.3
[M-H]- 486.03802 212.2
[M+NH4]+ 505.07912 211.3
[M+K]+ 526.00846 197.6
[M+H-H2O]+ 470.04256 195.2
[M+HCOO]- 532.04350 215.8
[M+CH3COO]- 546.05915 235.3
[M+Na-2H]- 508.01997 201.4
[M]+ 487.04475 224.4
[M]- 487.04585 224.4
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

patents stripe