CID 87234

17683-09-9

Structural Information

Molecular Formula
C14H15N3
SMILES
CC1=CC=C(C=C1)NN=NCC2=CC=CC=C2
InChI
InChI=1S/C14H15N3/c1-12-7-9-14(10-8-12)16-17-15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,15,16)
InChIKey
IWCGEJKKDAJKJE-UHFFFAOYSA-N
Compound name
N-(benzyldiazenyl)-4-methylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

77
Patents

225.1266 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.133876 149.1
[M+Na]+ 248.115818 155.3
[M-H]- 224.119324 158.4
[M+NH4]+ 243.160423 167.5
[M+K]+ 264.089758 152.4
[M+H-H2O]+ 208.123860 140.3
[M+HCOO]- 270.124801 179.8
[M+CH3COO]- 284.140451 201.6
[M+Na-2H]- 246.101266 158.6
[M]+ 225.12605142 149.4
[M]- 225.12714858 149.4
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