CID 3078742

Brn 4597052

Structural Information

Molecular Formula
C23H19N5O2S
SMILES
CC1=CC=CC=C1N=NC(=NC2=CC=C(C=C2)C3=NNC(=S)O3)C4=CC=CC=C4OC
InChI
InChI=1S/C23H19N5O2S/c1-15-7-3-5-9-19(15)25-26-21(18-8-4-6-10-20(18)29-2)24-17-13-11-16(12-14-17)22-27-28-23(31)30-22/h3-14H,1-2H3,(H,28,31)
InChIKey
FQHHQXSWQYGJLL-UHFFFAOYSA-N
Compound name
2-methoxy-N-(2-methylphenyl)imino-N'-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.12595 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.13323 204.7
[M+Na]+ 452.11517 213.1
[M-H]- 428.11867 219.0
[M+NH4]+ 447.15977 212.9
[M+K]+ 468.08911 207.3
[M+H-H2O]+ 412.12321 193.1
[M+HCOO]- 474.12415 226.9
[M+CH3COO]- 488.13980 214.8
[M+Na-2H]- 450.10062 206.9
[M]+ 429.12540 209.2
[M]- 429.12650 209.2
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.