CID 1129897

132362-32-4

Structural Information

Molecular Formula
C19H21N3O3S
SMILES
CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CN(C)C
InChI
InChI=1S/C19H21N3O3S/c1-4-25-19(24)20-13-9-10-17-15(11-13)22(18(23)12-21(2)3)14-7-5-6-8-16(14)26-17/h5-11H,4,12H2,1-3H3,(H,20,24)
InChIKey
LGWVIIQGKLLMKO-UHFFFAOYSA-N
Compound name
ethyl N-[10-[2-(dimethylamino)acetyl]phenothiazin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

371.13037 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.13765 184.4
[M+Na]+ 394.11959 189.7
[M-H]- 370.12309 188.8
[M+NH4]+ 389.16419 197.7
[M+K]+ 410.09353 186.6
[M+H-H2O]+ 354.12763 175.8
[M+HCOO]- 416.12857 198.5
[M+CH3COO]- 430.14422 224.2
[M+Na-2H]- 392.10504 187.3
[M]+ 371.12982 189.1
[M]- 371.13092 189.1
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

No patent data available for this compound.