CID 96174

10-phenothiazineethylamine, n,n-bis(2-chloroethyl)-

Structural Information

Molecular Formula
C18H20Cl2N2S
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCN(CCCl)CCCl
InChI
InChI=1S/C18H20Cl2N2S/c19-9-11-21(12-10-20)13-14-22-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)22/h1-8H,9-14H2
InChIKey
UWBCGYAVYMFZRK-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-2-phenothiazin-10-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

366.07242 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.07970 181.6
[M+Na]+ 389.06164 197.1
[M+NH4]+ 384.10624 192.3
[M+K]+ 405.03558 183.9
[M-H]- 365.06514 186.7
[M+Na-2H]- 387.04709 188.6
[M]+ 366.07187 186.6
[M]- 366.07297 186.6
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