CID 62865

Cyamemazine

Structural Information

Molecular Formula
C19H21N3S
SMILES
CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)C#N)CN(C)C
InChI
InChI=1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-9-8-15(11-20)10-17(19)22/h4-10,14H,12-13H2,1-3H3
InChIKey
SLFGIOIONGJGRT-UHFFFAOYSA-N
Compound name
10-[3-(dimethylamino)-2-methylpropyl]phenothiazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

77
References

2965
Patents

323.14563 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.152906 180.4
[M+Na]+ 346.134848 189.8
[M-H]- 322.138354 184.1
[M+NH4]+ 341.179453 194.7
[M+K]+ 362.108788 182.7
[M+H-H2O]+ 306.142890 166.1
[M+HCOO]- 368.143831 190.7
[M+CH3COO]- 382.159481 188.9
[M+Na-2H]- 344.120296 182.2
[M]+ 323.14508142 178.1
[M]- 323.14617858 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe