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]+ 372.137646 184.4
[M+Na]+ 394.119588 189.7
[M-H]- 370.123094 188.8
[M+NH4]+ 389.164193 197.7
[M+K]+ 410.093528 186.6
[M+H-H2O]+ 354.127630 175.8
[M+HCOO]- 416.128571 198.5
[M+CH3COO]- 430.144221 224.2
[M+Na-2H]- 392.105036 187.3
[M]+ 371.12982142 189.1
[M]- 371.13091858 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.