CID 23642275

As-19

Structural Information

Molecular Formula
C18H25N3
SMILES
CC1=C(C(=NN1C)C)C2=CC=CC3=C2CC[C@@H](C3)N(C)C
InChI
InChI=1S/C18H25N3/c1-12-18(13(2)21(5)19-12)17-8-6-7-14-11-15(20(3)4)9-10-16(14)17/h6-8,15H,9-11H2,1-5H3/t15-/m0/s1
InChIKey
BTTOYOKCLDAHHO-HNNXBMFYSA-N
Compound name
(2S)-N,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

408
Patents

283.20483 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.212106 170.7
[M+Na]+ 306.194048 178.8
[M-H]- 282.197554 177.2
[M+NH4]+ 301.238653 187.8
[M+K]+ 322.167988 174.6
[M+H-H2O]+ 266.202090 161.8
[M+HCOO]- 328.203031 190.3
[M+CH3COO]- 342.218681 211.5
[M+Na-2H]- 304.179496 171.0
[M]+ 283.20428142 171.4
[M]- 283.20537858 171.4
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

patents stripe