CID 325501

Nsc294307

Structural Information

Molecular Formula
C16H23N3O2S
SMILES
CCCN(CCC)C1=NC2=C(S1)C=C(C=C2)NC(=O)OCC
InChI
InChI=1S/C16H23N3O2S/c1-4-9-19(10-5-2)15-18-13-8-7-12(11-14(13)22-15)17-16(20)21-6-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,20)
InChIKey
PLORBASQAAYDOE-UHFFFAOYSA-N
Compound name
ethyl N-[2-(dipropylamino)-1,3-benzothiazol-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1511 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15838 176.1
[M+Na]+ 344.14032 183.2
[M-H]- 320.14382 180.8
[M+NH4]+ 339.18492 193.0
[M+K]+ 360.11426 180.2
[M+H-H2O]+ 304.14836 168.2
[M+HCOO]- 366.14930 196.0
[M+CH3COO]- 380.16495 213.9
[M+Na-2H]- 342.12577 177.5
[M]+ 321.15055 184.3
[M]- 321.15165 184.3
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.