CID 9584007

99504-82-2

Structural Information

Molecular Formula
C19H15ClN4OS
SMILES
CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C(=N3)C)/N=C/C4=CC=C(C=C4)Cl)C
InChI
InChI=1S/C19H15ClN4OS/c1-10-8-11(2)22-18-15(10)16-17(26-18)19(25)24(12(3)23-16)21-9-13-4-6-14(20)7-5-13/h4-9H,1-3H3/b21-9+
InChIKey
SRVJGDQUCVHAET-ZVBGSRNCSA-N
Compound name
5-[(E)-(4-chlorophenyl)methylideneamino]-4,11,13-trimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.06552 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.07280 189.7
[M+Na]+ 405.05474 208.6
[M+NH4]+ 400.09934 198.6
[M+K]+ 421.02868 198.0
[M-H]- 381.05824 195.3
[M+Na-2H]- 403.04019 197.6
[M]+ 382.06497 195.1
[M]- 382.06607 195.1
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.