CID 3024653

6-chloro-4,7-bis(dimethylamino)-2-piperazino-pteridine

Structural Information

Molecular Formula
C14H21ClN8
SMILES
CN(C)C1=NC(=NC2=C1N=C(C(=N2)N(C)C)Cl)N3CCNCC3
InChI
InChI=1S/C14H21ClN8/c1-21(2)12-9-11(18-13(22(3)4)10(15)17-9)19-14(20-12)23-7-5-16-6-8-23/h16H,5-8H2,1-4H3
InChIKey
KBWMIUUWZNOXTB-UHFFFAOYSA-N
Compound name
6-chloro-4-N,4-N,7-N,7-N-tetramethyl-2-piperazin-1-ylpteridine-4,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

336.15778 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16506 181.5
[M+Na]+ 359.14700 189.0
[M-H]- 335.15050 181.8
[M+NH4]+ 354.19160 188.7
[M+K]+ 375.12094 183.5
[M+H-H2O]+ 319.15504 169.2
[M+HCOO]- 381.15598 189.8
[M+CH3COO]- 395.17163 189.1
[M+Na-2H]- 357.13245 185.8
[M]+ 336.15723 180.9
[M]- 336.15833 180.9
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