CID 3088636

Sr 44345 a

Structural Information

Molecular Formula
C14H19N3S
SMILES
CN(C)CCCNC1=NC(=CS1)C2=CC=CC=C2
InChI
InChI=1S/C14H19N3S/c1-17(2)10-6-9-15-14-16-13(11-18-14)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,15,16)
InChIKey
TYOXAPRPCFNUFU-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.12997 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.13725 159.5
[M+Na]+ 284.11919 166.0
[M-H]- 260.12269 166.3
[M+NH4]+ 279.16379 177.4
[M+K]+ 300.09313 162.5
[M+H-H2O]+ 244.12723 151.1
[M+HCOO]- 306.12817 180.8
[M+CH3COO]- 320.14382 202.5
[M+Na-2H]- 282.10464 161.7
[M]+ 261.12942 162.5
[M]- 261.13052 162.5
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.