CID 263444

Nsc97889

Structural Information

Molecular Formula
C21H16Cl2N2O2S
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCOC(=O)NC4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C21H16Cl2N2O2S/c22-15-10-9-14(13-16(15)23)24-21(26)27-12-11-25-17-5-1-3-7-19(17)28-20-8-4-2-6-18(20)25/h1-10,13H,11-12H2,(H,24,26)
InChIKey
SMYBGEJBUGCEQY-UHFFFAOYSA-N
Compound name
2-phenothiazin-10-ylethyl N-(3,4-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.03094 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.03822 192.0
[M+Na]+ 453.02016 200.9
[M-H]- 429.02366 198.0
[M+NH4]+ 448.06476 204.2
[M+K]+ 468.99410 193.1
[M+H-H2O]+ 413.02820 184.4
[M+HCOO]- 475.02914 197.0
[M+CH3COO]- 489.04479 200.9
[M+Na-2H]- 451.00561 195.6
[M]+ 430.03039 198.5
[M]- 430.03149 198.5
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

No patent data available for this compound.