CID 16078951

Bl-1249

Structural Information

Molecular Formula
C17H17N5
SMILES
C1CCC2=C(C1)C=CC=C2NC3=CC=CC=C3C4=NNN=N4
InChI
InChI=1S/C17H17N5/c1-2-8-13-12(6-1)7-5-11-15(13)18-16-10-4-3-9-14(16)17-19-21-22-20-17/h3-5,7,9-11,18H,1-2,6,8H2,(H,19,20,21,22)
InChIKey
YYNRZIFBTOUICE-UHFFFAOYSA-N
Compound name
N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

27
Patents

291.1484 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.155676 166.3
[M+Na]+ 314.137618 172.8
[M-H]- 290.141124 169.9
[M+NH4]+ 309.182223 177.3
[M+K]+ 330.111558 165.4
[M+H-H2O]+ 274.145660 154.7
[M+HCOO]- 336.146601 182.8
[M+CH3COO]- 350.162251 175.4
[M+Na-2H]- 312.123066 172.1
[M]+ 291.14785142 160.9
[M]- 291.14894858 160.9
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