CID 3064153

Brn 0565243

Structural Information

Molecular Formula
C19H24N4S
SMILES
CN1CCN(CC1)NCCN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C19H24N4S/c1-21-12-14-22(15-13-21)20-10-11-23-16-6-2-4-8-18(16)24-19-9-5-3-7-17(19)23/h2-9,20H,10-15H2,1H3
InChIKey
MWUAENAQTGSUCO-UHFFFAOYSA-N
Compound name
4-methyl-N-(2-phenothiazin-10-ylethyl)piperazin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

340.17218 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17946 177.1
[M+Na]+ 363.16140 182.6
[M-H]- 339.16490 179.6
[M+NH4]+ 358.20600 188.4
[M+K]+ 379.13534 175.5
[M+H-H2O]+ 323.16944 166.6
[M+HCOO]- 385.17038 185.8
[M+CH3COO]- 399.18603 184.9
[M+Na-2H]- 361.14685 181.1
[M]+ 340.17163 174.0
[M]- 340.17273 174.0
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

patents stripe