CID 77707

4086-63-9

Structural Information

Molecular Formula
C10H11N5
SMILES
C1=CC=C(C=C1)CNC2=NC=NC(=N2)N
InChI
InChI=1S/C10H11N5/c11-9-13-7-14-10(15-9)12-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,11,12,13,14,15)
InChIKey
VWWIROAZLXEHMJ-UHFFFAOYSA-N
Compound name
2-N-benzyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.10144 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10872 142.8
[M+Na]+ 224.09066 150.6
[M-H]- 200.09416 145.2
[M+NH4]+ 219.13526 156.8
[M+K]+ 240.06460 146.2
[M+H-H2O]+ 184.09870 133.1
[M+HCOO]- 246.09964 166.0
[M+CH3COO]- 260.11529 154.5
[M+Na-2H]- 222.07611 152.6
[M]+ 201.10089 140.0
[M]- 201.10199 140.0
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