CID 123775

Changrolin

Structural Information

Molecular Formula
C24H29N5O
SMILES
C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)NC4=NC=NC5=CC=CC=C54
InChI
InChI=1S/C24H29N5O/c30-23-18(15-28-9-3-4-10-28)13-20(14-19(23)16-29-11-5-6-12-29)27-24-21-7-1-2-8-22(21)25-17-26-24/h1-2,7-8,13-14,17,30H,3-6,9-12,15-16H2,(H,25,26,27)
InChIKey
ADFVBEOHHMMWBZ-UHFFFAOYSA-N
Compound name
2,6-bis(pyrrolidin-1-ylmethyl)-4-(quinazolin-4-ylamino)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

38
References

73
Patents

403.2372 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.24448 200.1
[M+Na]+ 426.22642 212.4
[M+NH4]+ 421.27102 207.1
[M+K]+ 442.20036 208.0
[M-H]- 402.22992 206.3
[M+Na-2H]- 424.21187 207.4
[M]+ 403.23665 203.4
[M]- 403.23775 203.4
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