CID 3044458

57280-97-4

Structural Information

Molecular Formula
C13H14N4
SMILES
CC(=NNC1=NCC2=CNC3=CC=CC1=C23)C
InChI
InChI=1S/C13H14N4/c1-8(2)16-17-13-10-4-3-5-11-12(10)9(6-14-11)7-15-13/h3-6,14H,7H2,1-2H3,(H,15,17)
InChIKey
VFWVWAZEAADGCA-UHFFFAOYSA-N
Compound name
N-(propan-2-ylideneamino)-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,6,8(12),9-pentaen-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

226.12184 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.129116 149.3
[M+Na]+ 249.111058 158.0
[M-H]- 225.114564 151.9
[M+NH4]+ 244.155663 168.7
[M+K]+ 265.084998 153.4
[M+H-H2O]+ 209.119100 141.5
[M+HCOO]- 271.120041 171.8
[M+CH3COO]- 285.135691 161.7
[M+Na-2H]- 247.096506 157.9
[M]+ 226.12129142 149.9
[M]- 226.12238858 149.9
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