CID 1515256

4,4',4''-(1,3,5-triazine-2,4,6-triyl)trianiline

Structural Information

Molecular Formula
C21H18N6
SMILES
C1=CC(=CC=C1C2=NC(=NC(=N2)C3=CC=C(C=C3)N)C4=CC=C(C=C4)N)N
InChI
InChI=1S/C21H18N6/c22-16-7-1-13(2-8-16)19-25-20(14-3-9-17(23)10-4-14)27-21(26-19)15-5-11-18(24)12-6-15/h1-12H,22-24H2
InChIKey
WHSQATVVMVBGNS-UHFFFAOYSA-N
Compound name
4-[4,6-bis(4-aminophenyl)-1,3,5-triazin-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

437
Patents

354.1593 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16658 187.2
[M+Na]+ 377.14852 195.5
[M-H]- 353.15202 195.4
[M+NH4]+ 372.19312 193.9
[M+K]+ 393.12246 186.6
[M+H-H2O]+ 337.15656 174.7
[M+HCOO]- 399.15750 208.5
[M+CH3COO]- 413.17315 196.0
[M+Na-2H]- 375.13397 192.1
[M]+ 354.15875 182.2
[M]- 354.15985 182.2
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