CID 5493873

Nsc631073

Structural Information

Molecular Formula
C23H24NOS
SMILES
CCOC1=C/C(=C/C=C/C=C2C=CC(=[N+](C)C)C=C2)/SC3=CC=CC=C31
InChI
InChI=1S/C23H24NOS/c1-4-25-22-17-20(26-23-12-8-7-11-21(22)23)10-6-5-9-18-13-15-19(16-14-18)24(2)3/h5-17H,4H2,1-3H3/q+1/b6-5+,20-10-
InChIKey
MTZGBMVYCLWLSB-DBRBQVAZSA-N
Compound name
[4-[(E,4Z)-4-(4-ethoxythiochromen-2-ylidene)but-2-enylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.15787 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.16515 189.3
[M+Na]+ 385.14709 194.4
[M-H]- 361.15059 197.1
[M+NH4]+ 380.19169 203.4
[M+K]+ 401.12103 181.5
[M+H-H2O]+ 345.15513 183.1
[M+HCOO]- 407.15607 204.5
[M+CH3COO]- 421.17172 211.6
[M+Na-2H]- 383.13254 191.0
[M]+ 362.15732 188.1
[M]- 362.15842 188.1
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.