CID 472414

4-methoxybenzylidene-sulfadiazine

Structural Information

Molecular Formula
C18H16N4O3S
SMILES
COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3
InChI
InChI=1S/C18H16N4O3S/c1-25-16-7-3-14(4-8-16)13-21-15-5-9-17(10-6-15)26(23,24)22-18-19-11-2-12-20-18/h2-13H,1H3,(H,19,20,22)
InChIKey
VRTZHCYQGBWNJX-UHFFFAOYSA-N
Compound name
4-[(4-methoxyphenyl)methylideneamino]-N-pyrimidin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.0943 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.10158 184.7
[M+Na]+ 391.08352 192.5
[M-H]- 367.08702 193.2
[M+NH4]+ 386.12812 194.1
[M+K]+ 407.05746 186.6
[M+H-H2O]+ 351.09156 173.8
[M+HCOO]- 413.09250 204.4
[M+CH3COO]- 427.10815 217.4
[M+Na-2H]- 389.06897 191.8
[M]+ 368.09375 188.0
[M]- 368.09485 188.0
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.