CID 467904

Tcmdc-137312

Structural Information

Molecular Formula
C18H25N5
SMILES
CCCC1=CC2=C(N1C(CC)CC)C=CC3=C2C(=NC(=N3)N)N
InChI
InChI=1S/C18H25N5/c1-4-7-12-10-13-15(23(12)11(5-2)6-3)9-8-14-16(13)17(19)22-18(20)21-14/h8-11H,4-7H2,1-3H3,(H4,19,20,21,22)
InChIKey
UQVFPVMLTBNEKT-UHFFFAOYSA-N
Compound name
7-pentan-3-yl-8-propylpyrrolo[3,2-f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

311.211 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.21828 179.2
[M+Na]+ 334.20022 189.1
[M-H]- 310.20372 180.8
[M+NH4]+ 329.24482 193.8
[M+K]+ 350.17416 182.7
[M+H-H2O]+ 294.20826 170.4
[M+HCOO]- 356.20920 198.4
[M+CH3COO]- 370.22485 189.5
[M+Na-2H]- 332.18567 181.3
[M]+ 311.21045 181.7
[M]- 311.21155 181.7
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

patents stripe