CID 72770

3,6-acridinediamine, 2,7,9-trimethyl-, monohydrochloride

Structural Information

Molecular Formula
C16H17N3
SMILES
CC1=CC2=C(C3=C(C=C(C(=C3)C)N)N=C2C=C1N)C
InChI
InChI=1S/C16H17N3/c1-8-4-11-10(3)12-5-9(2)14(18)7-16(12)19-15(11)6-13(8)17/h4-7H,17-18H2,1-3H3
InChIKey
DZOAERSZTDNTCO-UHFFFAOYSA-N
Compound name
2,7,9-trimethylacridine-3,6-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1872
Patents

251.14224 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.149516 159.5
[M+Na]+ 274.131458 171.7
[M-H]- 250.134964 164.3
[M+NH4]+ 269.176063 177.8
[M+K]+ 290.105398 165.6
[M+H-H2O]+ 234.139500 152.1
[M+HCOO]- 296.140441 182.1
[M+CH3COO]- 310.156091 172.4
[M+Na-2H]- 272.116906 165.7
[M]+ 251.14169142 160.5
[M]- 251.14278858 160.5
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