CID 407235

24849-96-5

Structural Information

Molecular Formula
C11H14BrN5
SMILES
CC1(N=C(N=C(N1C2=CC(=CC=C2)Br)N)N)C
InChI
InChI=1S/C11H14BrN5/c1-11(2)16-9(13)15-10(14)17(11)8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H4,13,14,15,16)
InChIKey
KOOABGSEBLNWKJ-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

2
Patents

295.04327 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.05055 155.2
[M+Na]+ 318.03249 167.7
[M-H]- 294.03599 160.5
[M+NH4]+ 313.07709 171.8
[M+K]+ 334.00643 154.7
[M+H-H2O]+ 278.04053 152.8
[M+HCOO]- 340.04147 173.7
[M+CH3COO]- 354.05712 168.4
[M+Na-2H]- 316.01794 162.3
[M]+ 295.04272 171.0
[M]- 295.04382 171.0
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