CID 9578379

Brn 0619352

Structural Information

Molecular Formula
C12H19N7
SMILES
CN(C)/C=N/C1=NC(=NC(=N1)N)N(CC=C)CC=C
InChI
InChI=1S/C12H19N7/c1-5-7-19(8-6-2)12-16-10(13)15-11(17-12)14-9-18(3)4/h5-6,9H,1-2,7-8H2,3-4H3,(H2,13,15,16,17)/b14-9+
InChIKey
NCXGAVYGSIIXPA-NTEUORMPSA-N
Compound name
N'-[4-amino-6-[bis(prop-2-enyl)amino]-1,3,5-triazin-2-yl]-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1702 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.17748 163.7
[M+Na]+ 284.15942 170.2
[M-H]- 260.16292 167.1
[M+NH4]+ 279.20402 177.2
[M+K]+ 300.13336 168.3
[M+H-H2O]+ 244.16746 153.3
[M+HCOO]- 306.16840 189.9
[M+CH3COO]- 320.18405 216.3
[M+Na-2H]- 282.14487 168.8
[M]+ 261.16965 165.3
[M]- 261.17075 165.3
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

No patent data available for this compound.