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

1
Patents

226.12184 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.12912 149.3
[M+Na]+ 249.11106 158.0
[M-H]- 225.11456 151.9
[M+NH4]+ 244.15566 168.7
[M+K]+ 265.08500 153.4
[M+H-H2O]+ 209.11910 141.5
[M+HCOO]- 271.12004 171.8
[M+CH3COO]- 285.13569 161.7
[M+Na-2H]- 247.09651 157.9
[M]+ 226.12129 149.9
[M]- 226.12239 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