CID 212069

23856-21-5

Structural Information

Molecular Formula
C14H13N3
SMILES
C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)N)C=N2
InChI
InChI=1S/C14H13N3/c15-13-6-7-14-12(8-13)9-16-17(14)10-11-4-2-1-3-5-11/h1-9H,10,15H2
InChIKey
BQUSMTPKYUILPD-UHFFFAOYSA-N
Compound name
1-benzylindazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

209
Patents

223.11095 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.118226 148.1
[M+Na]+ 246.100168 158.3
[M-H]- 222.103674 153.4
[M+NH4]+ 241.144773 166.2
[M+K]+ 262.074108 152.7
[M+H-H2O]+ 206.108210 139.5
[M+HCOO]- 268.109151 172.4
[M+CH3COO]- 282.124801 161.3
[M+Na-2H]- 244.085616 155.7
[M]+ 223.11040142 148.4
[M]- 223.11149858 148.4
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