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 178.7
[M+Na]+ 389.06164 186.2
[M-H]- 365.06514 182.1
[M+NH4]+ 384.10624 194.2
[M+K]+ 405.03558 179.0
[M+H-H2O]+ 349.06968 171.8
[M+HCOO]- 411.07062 184.0
[M+CH3COO]- 425.08627 188.2
[M+Na-2H]- 387.04709 182.3
[M]+ 366.07187 185.2
[M]- 366.07297 185.2
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