CID 33411

Brn 0525342

Structural Information

Molecular Formula
C12H23N5
SMILES
CCCC1=NC(=NC(=N1)NC(C)C)NC(C)C
InChI
InChI=1S/C12H23N5/c1-6-7-10-15-11(13-8(2)3)17-12(16-10)14-9(4)5/h8-9H,6-7H2,1-5H3,(H2,13,14,15,16,17)
InChIKey
YFBIGPNGRMQOOT-UHFFFAOYSA-N
Compound name
2-N,4-N-di(propan-2-yl)-6-propyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.19534 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.20262 160.3
[M+Na]+ 260.18456 166.3
[M-H]- 236.18806 159.9
[M+NH4]+ 255.22916 173.9
[M+K]+ 276.15850 163.9
[M+H-H2O]+ 220.19260 151.3
[M+HCOO]- 282.19354 180.1
[M+CH3COO]- 296.20919 202.4
[M+Na-2H]- 258.17001 164.0
[M]+ 237.19479 161.0
[M]- 237.19589 161.0
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.