CID 113917

Cianatil maleate

Structural Information

Molecular Formula
C19H21N3S
SMILES
CC(CN1C2=C(C=C(C=C2)C#N)SC3=CC=CC=C31)CN(C)C
InChI
InChI=1S/C19H21N3S/c1-14(12-21(2)3)13-22-16-6-4-5-7-18(16)23-19-10-15(11-20)8-9-17(19)22/h4-10,14H,12-13H2,1-3H3
InChIKey
CBFLHGABMUCKLC-UHFFFAOYSA-N
Compound name
10-[3-(dimethylamino)-2-methylpropyl]phenothiazine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

323.14563 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15291 174.8
[M+Na]+ 346.13485 187.6
[M+NH4]+ 341.17945 180.9
[M+K]+ 362.10879 174.5
[M-H]- 322.13835 171.9
[M+Na-2H]- 344.12030 178.2
[M]+ 323.14508 175.6
[M]- 323.14618 175.6
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