CID 150777

Brn 0885356

Structural Information

Molecular Formula
C13H17N5
SMILES
CN(C)C1=NC(=NC(=N1)C2=CC=CC=C2)N(C)C
InChI
InChI=1S/C13H17N5/c1-17(2)12-14-11(10-8-6-5-7-9-10)15-13(16-12)18(3)4/h5-9H,1-4H3
InChIKey
URNJXVNCPBQNEU-UHFFFAOYSA-N
Compound name
2-N,2-N,4-N,4-N-tetramethyl-6-phenyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

243.14839 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15567 157.0
[M+Na]+ 266.13761 164.6
[M-H]- 242.14111 162.7
[M+NH4]+ 261.18221 171.1
[M+K]+ 282.11155 162.7
[M+H-H2O]+ 226.14565 146.4
[M+HCOO]- 288.14659 180.7
[M+CH3COO]- 302.16224 206.1
[M+Na-2H]- 264.12306 164.0
[M]+ 243.14784 159.1
[M]- 243.14894 159.1
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