CID 35513

6,6-dimethyl-1-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C11H14N6O2
SMILES
CC1(N=C(N=C(N1C2=CC(=CC=C2)[N+](=O)[O-])N)N)C
InChI
InChI=1S/C11H14N6O2/c1-11(2)15-9(12)14-10(13)16(11)7-4-3-5-8(6-7)17(18)19/h3-6H,1-2H3,(H4,12,13,14,15)
InChIKey
JZXAZFVGAXLTTI-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

262.11783 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12511 155.4
[M+Na]+ 285.10705 163.7
[M-H]- 261.11055 158.5
[M+NH4]+ 280.15165 168.5
[M+K]+ 301.08099 155.9
[M+H-H2O]+ 245.11509 151.2
[M+HCOO]- 307.11603 177.4
[M+CH3COO]- 321.13168 195.5
[M+Na-2H]- 283.09250 163.7
[M]+ 262.11728 150.9
[M]- 262.11838 150.9
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

No patent data available for this compound.