CID 38054

38519-94-7

Structural Information

Molecular Formula
C20H23N3O2S
SMILES
COC1=CC2=C(C=C1)SC(=N2)NC3=CC=C(C=C3)OCCN4CCCC4
InChI
InChI=1S/C20H23N3O2S/c1-24-17-8-9-19-18(14-17)22-20(26-19)21-15-4-6-16(7-5-15)25-13-12-23-10-2-3-11-23/h4-9,14H,2-3,10-13H2,1H3,(H,21,22)
InChIKey
LUCGXGKFBVBPHV-UHFFFAOYSA-N
Compound name
5-methoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

369.1511 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15838 184.5
[M+Na]+ 392.14032 192.5
[M-H]- 368.14382 193.3
[M+NH4]+ 387.18492 199.2
[M+K]+ 408.11426 187.2
[M+H-H2O]+ 352.14836 176.0
[M+HCOO]- 414.14930 202.6
[M+CH3COO]- 428.16495 195.1
[M+Na-2H]- 390.12577 184.5
[M]+ 369.15055 189.3
[M]- 369.15165 189.3
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

patents stripe