CID 6451759

2-(ethylamino)-4-(isopropylamino)-s-triazine

Structural Information

Molecular Formula
C8H15N5
SMILES
CCNC1=NC(=NC=N1)NC(C)C
InChI
InChI=1S/C8H15N5/c1-4-9-7-10-5-11-8(13-7)12-6(2)3/h5-6H,4H2,1-3H3,(H2,9,10,11,12,13)
InChIKey
DWWKJVDRGAIXJI-UHFFFAOYSA-N
Compound name
4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

64
Patents

181.13275 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.14003 141.6
[M+Na]+ 204.12197 148.6
[M-H]- 180.12547 141.3
[M+NH4]+ 199.16657 157.2
[M+K]+ 220.09591 146.7
[M+H-H2O]+ 164.13001 133.0
[M+HCOO]- 226.13095 163.7
[M+CH3COO]- 240.14660 188.3
[M+Na-2H]- 202.10742 149.4
[M]+ 181.13220 141.0
[M]- 181.13330 141.0
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