CID 114324

Dmmocp

Structural Information

Molecular Formula
C20H23ClN2O2S
SMILES
CC1(OC2=C(O1)C=C3C(=C2)N(C4=C(S3)C=CC(=C4)Cl)CCCN(C)C)C
InChI
InChI=1S/C20H23ClN2O2S/c1-20(2)24-16-11-15-19(12-17(16)25-20)26-18-7-6-13(21)10-14(18)23(15)9-5-8-22(3)4/h6-7,10-12H,5,8-9H2,1-4H3
InChIKey
FYXYCOJMXHGCTN-UHFFFAOYSA-N
Compound name
3-(8-chloro-2,2-dimethyl-[1,3]dioxolo[4,5-b]phenothiazin-10-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.11688 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12416 190.7
[M+Na]+ 413.10610 201.0
[M-H]- 389.10960 198.1
[M+NH4]+ 408.15070 207.7
[M+K]+ 429.08004 197.9
[M+H-H2O]+ 373.11414 184.5
[M+HCOO]- 435.11508 198.1
[M+CH3COO]- 449.13073 201.5
[M+Na-2H]- 411.09155 193.5
[M]+ 390.11633 200.4
[M]- 390.11743 200.4
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

No patent data available for this compound.