CID 419049

Substituted diamino triazene

Structural Information

Molecular Formula
C20H26N6O2
SMILES
CC1(N=C(N=C(N1C2=CC(=CC=C2)OCCCOC3=CC=C(C=C3)N)N)N)C
InChI
InChI=1S/C20H26N6O2/c1-20(2)25-18(22)24-19(23)26(20)15-5-3-6-17(13-15)28-12-4-11-27-16-9-7-14(21)8-10-16/h3,5-10,13H,4,11-12,21H2,1-2H3,(H4,22,23,24,25)
InChIKey
NTPROZRRLDVEFJ-UHFFFAOYSA-N
Compound name
1-[3-[3-(4-aminophenoxy)propoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

382.21173 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.21901 193.8
[M+Na]+ 405.20095 200.9
[M-H]- 381.20445 198.8
[M+NH4]+ 400.24555 201.9
[M+K]+ 421.17489 195.3
[M+H-H2O]+ 365.20899 182.2
[M+HCOO]- 427.20993 213.6
[M+CH3COO]- 441.22558 227.8
[M+Na-2H]- 403.18640 196.9
[M]+ 382.21118 192.7
[M]- 382.21228 192.7
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

No patent data available for this compound.