CID 486243

Chembl144200

Structural Information

Molecular Formula
C19H15N7S
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CC4=CN=C5C(=N4)C(=NC(=N5)N)N
InChI
InChI=1S/C19H15N7S/c20-17-16-18(25-19(21)24-17)22-9-11(23-16)10-26-12-5-1-3-7-14(12)27-15-8-4-2-6-13(15)26/h1-9H,10H2,(H4,20,21,22,24,25)
InChIKey
VMOVOUMHZIMENS-UHFFFAOYSA-N
Compound name
6-(phenothiazin-10-ylmethyl)pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

373.11096 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11824 183.5
[M+Na]+ 396.10018 194.5
[M-H]- 372.10368 185.5
[M+NH4]+ 391.14478 191.4
[M+K]+ 412.07412 184.7
[M+H-H2O]+ 356.10822 172.6
[M+HCOO]- 418.10916 193.2
[M+CH3COO]- 432.12481 191.5
[M+Na-2H]- 394.08563 191.8
[M]+ 373.11041 183.0
[M]- 373.11151 183.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.